data_[Cd2Tc2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Tc  1.9000  1.3500  0.7417
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5523]
_cell_length_b [3.2184]
_cell_length_c [7.5207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdTcBr2]
_chemical_formula_sum '[Cd2 Tc2 Br4]'
_cell_volume [236.3315]
_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  2  0.0674  0.5000  0.6250  1
  Tc  Tc1  2  0.3009  0.0000  0.6250  1
  Br  Br2  2  0.2387  0.5000  0.3393  1
  Br  Br3  2  0.3931  0.5000  0.9107  1
]