data_[Ca6Ni36P9Pt3]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6346]
_cell_length_b [7.6346]
_cell_length_c [17.0338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2Ni12P3Pt]
_chemical_formula_sum '[Ca6 Ni36 P9 Pt3]'
_cell_volume [859.8332]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3964  1
  Ni  Ni1  18  0.0115  0.5058  0.3763  1
  Ni  Ni2  18  0.0448  0.5224  0.8629  1
  P  P3  9  0.0000  0.5000  0.5000  1
  Pt  Pt4  3  0.0000  0.0000  0.0000  1
]