data_[Ca12Pd4Pt4]
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 [8.9365]
_cell_length_b [7.5410]
_cell_length_c [8.1912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca3PdPt]
_chemical_formula_sum '[Ca12 Pd4 Pt4]'
_cell_volume [529.1897]
_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  4  0.1469  0.1904  0.0197  1
  Ca  Ca1  4  0.2157  0.6532  0.8930  1
  Ca  Ca2  4  0.4448  0.5008  0.2881  1
  Pd  Pd3  4  0.0830  0.5375  0.1817  1
  Pt  Pt4  4  0.4367  0.1749  0.4717  1
]