data_[Ca2Zn12Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.6714]
_cell_length_b [6.6714]
_cell_length_c [9.4470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Ca(Zn3Pt2)2]
_chemical_formula_sum '[Ca2 Zn12 Pt8]'
_cell_volume [420.4628]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  8  0.1789  0.1789  0.3010  1
  Zn  Zn2  4  0.0000  0.5000  0.0000  1
  Pt  Pt3  8  0.1818  0.1818  0.5803  1
]