# generated using pymatgen
data_LiPrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00523816
_cell_length_b   7.00523816
_cell_length_c   5.68106593
_cell_angle_alpha   66.08423972
_cell_angle_beta   66.08423972
_cell_angle_gamma   110.00883698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPrS2
_chemical_formula_sum   'Li2 Pr2 S4'
_cell_volume   185.29945011
_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  0.25075400  0.50292400  0.50025700  1
  Li  Li1  1  0.50292400  0.25075400  0.00025700  1
  Pr  Pr2  1  0.00607500  0.74816200  0.99580100  1
  Pr  Pr3  1  0.74816200  0.00607500  0.49580100  1
  S  S4  1  0.50675500  0.24448600  0.49594300  1
  S  S5  1  0.99574800  0.73988600  0.50485200  1
  S  S6  1  0.73988600  0.99574800  0.00485200  1
  S  S7  1  0.25279700  0.49737900  0.99285900  1
