data_[Ca2Mn2Cd2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.1394]
_cell_length_b [5.1394]
_cell_length_c [10.5057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaMnCdF6]
_chemical_formula_sum '[Ca2 Mn2 Cd2 F12]'
_cell_volume [277.4867]
_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  0.9995  1.0
  Mn  Mn1  2  0.0000  0.0000  0.3333  1.0
  Cd  Cd2  2  0.0000  0.0000  0.6673  1.0
  F  F3  4  0.1887  0.8113  0.4930  1.0
  F  F4  4  0.1898  0.8102  0.1737  1.0
  F  F5  4  0.2044  0.7956  0.8332  1.0
]