data_[Ca8Ni8P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9168]
_cell_length_b [5.4610]
_cell_length_c [7.5179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2Ni2P]
_chemical_formula_sum '[Ca8 Ni8 P4]'
_cell_volume [360.3661]
_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
[
  Ca  Ca0  8  0.1573  0.3875  0.6588  1.0
  Ni  Ni1  8  0.1160  0.1253  0.0034  1.0
  P  P2  4  0.0000  0.0855  0.2500  1.0
]