data_[Ca12Ga8Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9786]
_cell_length_b [14.9650]
_cell_length_c [5.8524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ca3Ga2Pt3]
_chemical_formula_sum '[Ca12 Ga8 Pt12]'
_cell_volume [698.7825]
_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  0.0291  0.6055  0.6364  1
  Ca  Ca1  4  0.1722  0.7500  0.0916  1
  Ga  Ga2  8  0.1267  0.1028  0.8758  1
  Pt  Pt3  8  0.1669  0.5424  0.1019  1
  Pt  Pt4  4  0.1831  0.2500  0.0846  1
]