# generated using pymatgen
data_Lu2NiPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81784342
_cell_length_b   3.81784277
_cell_length_c   13.62059418
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2NiPS
_chemical_formula_sum   'Lu4 Ni2 P2 S2'
_cell_volume   171.93439906
_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  0.66666700  0.33333300  0.38216842  1.0
  Lu  Lu1  1  0.33333300  0.66666700  0.88216842  1.0
  Lu  Lu2  1  0.33333300  0.66666700  0.61783158  1.0
  Lu  Lu3  1  0.66666700  0.33333300  0.11783158  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.75000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.25000000  1.0
  P  P6  1  0.33333300  0.66666700  0.25000000  1.0
  P  P7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.00000000  0.00000000  0.00000000  1.0
  S  S9  1  0.00000000  0.00000000  0.50000000  1.0