data_[Ca2Cr2Pb2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P4_2nm]
_cell_length_a [5.2427]
_cell_length_b [5.2427]
_cell_length_c [10.9648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaCrPbF6]
_chemical_formula_sum '[Ca2 Cr2 Pb2 F12]'
_cell_volume [301.3803]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.9970  1.0
  Cr  Cr1  2  0.0000  0.0000  0.3342  1.0
  Pb  Pb2  2  0.0000  0.0000  0.6649  1.0
  F  F3  4  0.1752  0.8248  0.1684  1.0
  F  F4  4  0.1946  0.8054  0.4877  1.0
  F  F5  4  0.2245  0.7755  0.8458  1.0
]