data_[Cu4Pb4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6385]
_cell_length_b [7.7612]
_cell_length_c [3.9874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuPbF3]
_chemical_formula_sum '[Cu4 Pb4 F12]'
_cell_volume [329.1952]
_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
[
  Cu  Cu0  4  0.0000  0.1741  0.0000  1.0
  Pb  Pb1  4  0.2200  0.5000  0.2977  1.0
  F  F2  8  0.1452  0.1924  0.2618  1.0
  F  F3  4  0.0994  0.5000  0.7747  1.0
]