# generated using pymatgen
data_LuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78383089
_cell_length_b   3.78374851
_cell_length_c   7.76618220
_cell_angle_alpha   90.00039347
_cell_angle_beta   90.00098579
_cell_angle_gamma   89.99727739
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuS2
_chemical_formula_sum   'Lu2 S4'
_cell_volume   111.18893134
_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
  Lu  Lu0  1  0.74998389  0.74993029  0.72674946  1.0
  Lu  Lu1  1  0.24998011  0.24993169  0.27321784  1.0
  S  S2  1  0.75003898  0.75001027  0.36929289  1.0
  S  S3  1  0.24996544  0.25001472  0.63073818  1.0
  S  S4  1  0.75005799  0.25005736  0.00000262  1.0
  S  S5  1  0.24997260  0.75005467  -0.00000000  1.0