data_[Ca12Ga4Pb4]
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 [C2/m]
_cell_length_a [17.4181]
_cell_length_b [3.9435]
_cell_length_c [9.2853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3GaPb]
_chemical_formula_sum '[Ca12 Ga4 Pb4]'
_cell_volume [632.1445]
_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  0.0519  0.0000  0.1883  1
  Ca  Ca1  4  0.1051  0.5000  0.5672  1
  Ca  Ca2  4  0.2496  0.5000  0.1867  1
  Ga  Ga3  4  0.2112  0.0000  0.4288  1
  Pb  Pb4  4  0.1067  0.5000  0.9158  1
]