# generated using pymatgen
data_LiGdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57780124
_cell_length_b   6.57780124
_cell_length_c   6.57780063
_cell_angle_alpha   34.99042989
_cell_angle_beta   34.99042989
_cell_angle_gamma   34.99043093
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGdS2
_chemical_formula_sum   'Li1 Gd1 S2'
_cell_volume   83.56105247
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.50000000  1
  Gd  Gd1  1  0.00000000  0.00000000  -0.00000000  1
  S  S2  1  0.24931651  0.24931651  0.24931651  1
  S  S3  1  0.75068349  0.75068349  0.75068349  1
