data_[Cd4Te1Se3]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4694]
_cell_length_b [8.9615]
_cell_length_c [6.2681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Cd4TeSe3]
_chemical_formula_sum '[Cd4 Te1 Se3]'
_cell_volume [251.0500]
_cell_formula_units_Z [1]
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  0.2383  0.9918  1.0
  Cd  Cd1  1  0.5000  0.0000  0.4955  1.0
  Cd  Cd2  1  0.5000  0.5000  0.5221  1.0
  Te  Te3  1  0.0000  0.5000  0.2471  1.0
  Se  Se4  2  0.5000  0.2432  0.7499  1.0
  Se  Se5  1  0.0000  0.0000  0.2519  1.0
]