data_[Cd6Fe2Te4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4661]
_cell_length_b [6.4843]
_cell_length_c [5.8500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3FeTe2F6]
_chemical_formula_sum '[Cd6 Fe2 Te4 F12]'
_cell_volume [472.8414]
_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
[
  Cd  Cd0  4  0.2500  0.2500  0.5000  1
  Cd  Cd1  2  0.0000  0.5000  0.0000  1
  Fe  Fe2  2  0.0000  0.0000  0.5000  1
  Te  Te3  4  0.2168  0.5000  0.9020  1
  F  F4  8  0.0675  0.2213  0.3185  1
  F  F5  4  0.1351  0.0000  0.6788  1
]