data_[Nb4Ni4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4132]
_cell_length_b [3.3578]
_cell_length_c [12.2070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NbNiP2]
_chemical_formula_sum '[Nb4 Ni4 P8]'
_cell_volume [221.8812]
_cell_formula_units_Z [4]
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  4  0.0159  0.2500  0.8297  1.0
  Ni  Ni1  4  0.0192  0.2500  0.5850  1.0
  P  P2  4  0.1362  0.2500  0.3098  1.0
  P  P3  4  0.1918  0.2500  0.0361  1.0
]