data_[Ca12Pt2Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8607]
_cell_length_b [8.5920]
_cell_length_c [12.4026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca6PtPb2]
_chemical_formula_sum '[Ca12 Pt2 Pb4]'
_cell_volume [608.9803]
_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  0.1035  0.1711  0.4460  1.0
  Ca  Ca1  4  0.2930  0.6899  0.4429  1.0
  Ca  Ca2  4  0.3388  0.0303  0.2377  1.0
  Pt  Pt3  2  0.5000  0.0000  0.5000  1.0
  Pb  Pb4  4  0.2044  0.1104  0.7545  1.0
]