data_[Ca12Pd4Pt2]
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 [P2_1/c]
_cell_length_a [6.7933]
_cell_length_b [7.7793]
_cell_length_c [12.0638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca6Pd2Pt]
_chemical_formula_sum '[Ca12 Pd4 Pt2]'
_cell_volume [530.6114]
_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  0.0934  0.0470  0.2450  1
  Ca  Ca1  4  0.2292  0.6711  0.0722  1
  Ca  Ca2  4  0.4029  0.1769  0.0653  1
  Pd  Pd3  4  0.3091  0.1180  0.7608  1
  Pt  Pt4  2  0.5000  0.0000  0.5000  1
]