data_[Cd2Te4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7842]
_cell_length_b [5.8990]
_cell_length_c [8.0879]
_cell_angle_alpha [89.1930]
_cell_angle_beta [70.3369]
_cell_angle_gamma [82.9735]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdTe2F]
_chemical_formula_sum '[Cd2 Te4 F2]'
_cell_volume [257.8167]
_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  1  0.1182  0.3236  0.6014  1
  Cd  Cd1  1  0.5910  0.9436  0.6635  1
  Te  Te2  1  0.1520  0.7581  0.9030  1
  Te  Te3  1  0.2568  0.8519  0.2057  1
  Te  Te4  1  0.7984  0.1295  0.9081  1
  Te  Te5  1  0.8839  0.6009  0.4100  1
  F  F6  1  0.3315  0.9840  0.4829  1
  F  F7  1  0.4753  0.3307  0.6469  1
]