# generated using pymatgen
data_LiW6CCl18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22187163
_cell_length_b   9.22187163
_cell_length_c   17.47511800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiW6CCl18
_chemical_formula_sum   'Li2 W12 C2 Cl36'
_cell_volume   1287.03069732
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  W  W2  1  0.52146900  0.70249100  0.16688900  1
  W  W3  1  0.70249100  0.18102200  0.66688900  1
  W  W4  1  0.47853100  0.29750900  0.66688900  1
  W  W5  1  0.47853100  0.29750900  0.83311100  1
  W  W6  1  0.81897800  0.52146900  0.66688900  1
  W  W7  1  0.18102200  0.47853100  0.16688900  1
  W  W8  1  0.29750900  0.81897800  0.33311100  1
  W  W9  1  0.29750900  0.81897800  0.16688900  1
  W  W10  1  0.81897800  0.52146900  0.83311100  1
  W  W11  1  0.18102200  0.47853100  0.33311100  1
  W  W12  1  0.70249100  0.18102200  0.83311100  1
  W  W13  1  0.52146900  0.70249100  0.33311100  1
  C  C14  1  0.66666700  0.33333300  0.75000000  1
  C  C15  1  0.33333300  0.66666700  0.25000000  1
  Cl  Cl16  1  0.37709300  0.47729100  0.42228300  1
  Cl  Cl17  1  0.22591900  0.24944900  0.59769200  1
  Cl  Cl18  1  0.75055100  0.97647000  0.90230800  1
  Cl  Cl19  1  0.20913500  0.28093100  0.25000000  1
  Cl  Cl20  1  0.37709300  0.47729100  0.07771700  1
  Cl  Cl21  1  0.57866400  0.52235700  0.25000000  1
  Cl  Cl22  1  0.52235700  0.94369300  0.75000000  1
  Cl  Cl23  1  0.62290700  0.52270900  0.57771700  1
  Cl  Cl24  1  0.77408100  0.75055100  0.40230800  1
  Cl  Cl25  1  0.89980200  0.37709300  0.92228300  1
  Cl  Cl26  1  0.42133600  0.47764300  0.75000000  1
  Cl  Cl27  1  0.92820400  0.20913500  0.75000000  1
  Cl  Cl28  1  0.10019800  0.62290700  0.42228300  1
  Cl  Cl29  1  0.52270900  0.89980200  0.07771700  1
  Cl  Cl30  1  0.05630700  0.57866400  0.75000000  1
  Cl  Cl31  1  0.24944900  0.02353000  0.40230800  1
  Cl  Cl32  1  0.02353000  0.77408100  0.90230800  1
  Cl  Cl33  1  0.79086500  0.71906900  0.75000000  1
  Cl  Cl34  1  0.24944900  0.02353000  0.09769200  1
  Cl  Cl35  1  0.07179600  0.79086500  0.25000000  1
  Cl  Cl36  1  0.47764300  0.05630700  0.25000000  1
  Cl  Cl37  1  0.89980200  0.37709300  0.57771700  1
  Cl  Cl38  1  0.47729100  0.10019800  0.57771700  1
  Cl  Cl39  1  0.02353000  0.77408100  0.59769200  1
  Cl  Cl40  1  0.71906900  0.92820400  0.25000000  1
  Cl  Cl41  1  0.62290700  0.52270900  0.92228300  1
  Cl  Cl42  1  0.97647000  0.22591900  0.09769200  1
  Cl  Cl43  1  0.47729100  0.10019800  0.92228300  1
  Cl  Cl44  1  0.94369300  0.42133600  0.25000000  1
  Cl  Cl45  1  0.75055100  0.97647000  0.59769200  1
  Cl  Cl46  1  0.22591900  0.24944900  0.90230800  1
  Cl  Cl47  1  0.97647000  0.22591900  0.40230800  1
  Cl  Cl48  1  0.77408100  0.75055100  0.09769200  1
  Cl  Cl49  1  0.28093100  0.07179600  0.75000000  1
  Cl  Cl50  1  0.52270900  0.89980200  0.42228300  1
  Cl  Cl51  1  0.10019800  0.62290700  0.07771700  1
