data_[Cr2Pb2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [6.3462]
_cell_length_b [7.3727]
_cell_length_c [4.7410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrPbF6]
_chemical_formula_sum '[Cr2 Pb2 F12]'
_cell_volume [216.0824]
_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
[
  Cr  Cr0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  2  0.0000  0.5000  0.5000  1.0
  F  F2  8  0.1005  0.1734  0.2780  1.0
  F  F3  4  0.2203  0.5000  0.0754  1.0
]