# generated using pymatgen
data_Lu10Sn6PS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79386597
_cell_length_b   8.79386496
_cell_length_c   6.54164117
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu10Sn6PS
_chemical_formula_sum   'Lu10 Sn6 P1 S1'
_cell_volume   438.10381221
_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  0.66666700  0.33333300  0.00000000  1.0
  Lu  Lu1  1  0.33333300  0.66666700  0.00000000  1.0
  Lu  Lu2  1  0.33333300  0.66666700  0.50000000  1.0
  Lu  Lu3  1  0.66666700  0.33333300  0.50000000  1.0
  Lu  Lu4  1  0.75802301  0.75802301  0.74810267  1.0
  Lu  Lu5  1  0.24197699  0.00000000  0.74810267  1.0
  Lu  Lu6  1  0.00000000  0.24197699  0.74810267  1.0
  Lu  Lu7  1  0.24197699  0.24197699  0.25189733  1.0
  Lu  Lu8  1  0.75802301  1.00000000  0.25189733  1.0
  Lu  Lu9  1  1.00000000  0.75802301  0.25189733  1.0
  Sn  Sn10  1  0.39918101  0.39918101  0.74999454  1.0
  Sn  Sn11  1  0.60081899  1.00000000  0.74999454  1.0
  Sn  Sn12  1  1.00000000  0.60081899  0.74999454  1.0
  Sn  Sn13  1  0.60081899  0.60081899  0.25000546  1.0
  Sn  Sn14  1  0.39918101  0.00000000  0.25000546  1.0
  Sn  Sn15  1  0.00000000  0.39918101  0.25000546  1.0
  P  P16  1  0.00000000  0.00000000  0.50000000  1.0
  S  S17  1  0.00000000  0.00000000  0.00000000  1.0