# generated using pymatgen
data_Lu7PS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60861288
_cell_length_b   7.61204051
_cell_length_c   7.60842884
_cell_angle_alpha   120.04232319
_cell_angle_beta   89.98793099
_cell_angle_gamma   120.04156796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu7PS7
_chemical_formula_sum   'Lu7 P1 S7'
_cell_volume   311.22959586
_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
  Lu  Lu0  1  0.24585997  0.99998660  0.24587855  1.0
  Lu  Lu1  1  0.24598627  0.49198737  0.24599768  1.0
  Lu  Lu2  1  0.75417038  0.99999967  0.24582736  1.0
  Lu  Lu3  1  0.25005486  0.50000446  0.74994233  1.0
  Lu  Lu4  1  0.24579657  0.99998341  0.75418500  1.0
  Lu  Lu5  1  0.75413722  0.00002263  0.75415036  1.0
  Lu  Lu6  1  0.75400702  0.50801349  0.75401197  1.0
  P  P7  1  0.00003113  0.99999913  0.99996946  1.0
  S  S8  1  0.49996217  0.99999664  0.50003724  1.0
  S  S9  1  0.00082030  0.00168237  0.50085328  1.0
  S  S10  1  0.00101782  0.50001953  0.50104725  1.0
  S  S11  1  0.49924887  0.50000631  0.50075671  1.0
  S  S12  1  0.00082215  0.50000212  0.99918565  1.0
  S  S13  1  0.49894020  0.49997550  0.99897947  1.0
  S  S14  1  0.49914708  0.99832378  0.99918369  1.0