data_[Ca8Pd8Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6154]
_cell_length_b [5.6348]
_cell_length_c [8.0945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2Pd2Pt]
_chemical_formula_sum '[Ca8 Pd8 Pt4]'
_cell_volume [421.9845]
_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  0.1513  0.3639  0.6514  1.0
  Pd  Pd1  8  0.1268  0.1261  0.9963  1.0
  Pt  Pt2  4  0.0000  0.1998  0.2500  1.0
]