data_[Ca4Ga4Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6952]
_cell_length_b [4.6201]
_cell_length_c [7.9822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaGaPb]
_chemical_formula_sum '[Ca4 Ga4 Pb4]'
_cell_volume [326.9634]
_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  2  0.2722  0.5000  0.7881  1.0
  Ca  Ca1  2  0.3335  0.0000  0.2408  1.0
  Ga  Ga2  2  0.0436  0.0000  0.6872  1.0
  Ga  Ga3  2  0.2393  0.5000  0.3775  1.0
  Pb  Pb4  2  0.0213  0.5000  0.8899  1.0
  Pb  Pb5  2  0.0720  0.0000  0.3347  1.0
]