data_[Ni2B2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1578]
_cell_length_b [4.5163]
_cell_length_c [4.9791]
_cell_angle_alpha [100.7834]
_cell_angle_beta [93.1171]
_cell_angle_gamma [109.3114]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NiBP]
_chemical_formula_sum '[Ni2 B2 P2]'
_cell_volume [65.3115]
_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
[
  Ni  Ni0  1  0.4027  0.9544  0.5076  1
  Ni  Ni1  1  0.7061  0.4507  0.2837  1
  B  B2  1  0.4169  0.0338  0.9511  1
  B  B3  1  0.5685  0.3714  0.8227  1
  P  P4  1  0.1477  0.5610  0.7144  1
  P  P5  1  0.8963  0.9582  0.1678  1
]