data_[Ca4Co4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6587]
_cell_length_b [4.1592]
_cell_length_c [5.5116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCoPb]
_chemical_formula_sum '[Ca4 Co4 Pb4]'
_cell_volume [285.5892]
_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  0.1295  0.0000  0.3288  1
  Co  Co1  4  0.2207  0.0000  0.9066  1
  Pb  Pb2  4  0.0870  0.5000  0.8004  1
]