data_[Ca14Pt10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [5.7181]
_cell_length_b [9.7935]
_cell_length_c [10.8568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Ca7Pt5]
_chemical_formula_sum '[Ca14 Pt10]'
_cell_volume [607.9847]
_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  4  0.0000  0.0000  0.3114  1
  Ca  Ca1  4  0.2500  0.2500  0.4204  1
  Ca  Ca2  4  0.2500  0.2500  0.8645  1
  Ca  Ca3  2  0.0000  0.0000  0.0000  1
  Pt  Pt4  4  0.0000  0.5000  0.2468  1
  Pt  Pt5  4  0.2500  0.2500  0.1607  1
  Pt  Pt6  2  0.0000  0.5000  0.0000  1
]