data_[Ni4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0515]
_cell_length_b [4.4372]
_cell_length_c [7.1518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NiP2]
_chemical_formula_sum '[Ni4 P8]'
_cell_volume [169.2759]
_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
[
  Ni  Ni0  4  0.1097  0.5216  0.3811  1.0
  P  P1  4  0.2385  0.2163  0.6709  1.0
  P  P2  4  0.3991  0.6457  0.0594  1.0
]