# generated using pymatgen
data_NbPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70970841
_cell_length_b   6.70970841
_cell_length_c   6.70970841
_cell_angle_alpha   150.17891711
_cell_angle_beta   138.69941417
_cell_angle_gamma   51.76853201
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPS
_chemical_formula_sum   'Nb2 P2 S2'
_cell_volume   98.64512771
_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
  Nb  Nb0  1  0.37577600  0.87577600  0.50000000  1.0
  Nb  Nb1  1  0.62422400  0.12422400  0.50000000  1.0
  P  P2  1  0.76368000  0.50000000  0.26368000  1.0
  P  P3  1  0.23632000  0.50000000  0.73632000  1.0
  S  S4  1  0.21268100  0.21268100  0.00000000  1.0
  S  S5  1  0.78731900  0.78731900  0.00000000  1.0