data_[Nd8Ni8P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.3932]
_cell_length_b [19.5892]
_cell_length_c [5.4204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [NdNiP2]
_chemical_formula_sum '[Nd8 Ni8 P16]'
_cell_volume [572.6563]
_cell_formula_units_Z [8]
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
[
  Nd  Nd0  8  0.0000  0.1185  0.9912  1
  Ni  Ni1  8  0.2500  0.2500  0.2419  1
  P  P2  8  0.0000  0.1872  0.4915  1
  P  P3  8  0.2089  0.0000  0.2756  1
]