# generated using pymatgen
data_Tb2NiPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89090917
_cell_length_b   3.89090917
_cell_length_c   14.18540399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000837
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2NiPS
_chemical_formula_sum   'Tb4 Ni2 P2 S2'
_cell_volume   185.98353078
_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
  Tb  Tb0  1  0.33333300  0.66666700  0.38236047  1.0
  Tb  Tb1  1  0.66666700  0.33333300  0.61763953  1.0
  Tb  Tb2  1  0.66666700  0.33333300  0.88236047  1.0
  Tb  Tb3  1  0.33333300  0.66666700  0.11763953  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.25000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.75000000  1.0
  P  P6  1  0.33333300  0.66666700  0.75000000  1.0
  P  P7  1  0.66666700  0.33333300  0.25000000  1.0
  S  S8  1  0.00000000  0.00000000  0.50000000  1.0
  S  S9  1  0.00000000  0.00000000  0.00000000  1.0