data_[Ni16P4H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.4838]
_cell_length_b [10.3467]
_cell_length_c [4.6678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.4973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni4PH]
_chemical_formula_sum '[Ni16 P4 H4]'
_cell_volume [238.1254]
_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  8  0.1416  0.2065  0.1397  1.0
  Ni  Ni1  8  0.2354  0.4538  0.3181  1.0
  P  P2  4  0.0000  0.3730  0.7500  1.0
  H  H3  4  0.0000  0.1013  0.2500  1.0
]