data_[Cd2Tc4Te2]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3910]
_cell_length_b [3.1481]
_cell_length_c [5.6601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdTc2Te]
_chemical_formula_sum '[Cd2 Tc4 Te2]'
_cell_volume [146.6256]
_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  0.0000  0.5000  0.0000  1
  Tc  Tc1  4  0.2451  0.5000  0.7186  1
  Te  Te2  2  0.0000  0.0000  0.5000  1
]