data_[Cd1Fe3Te4]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.0251]
_cell_length_b [4.2358]
_cell_length_c [20.2817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CdFe3Te4]
_chemical_formula_sum '[Cd1 Fe3 Te4]'
_cell_volume [603.5148]
_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  1  0.1295  0.0000  0.4324  1
  Fe  Fe1  1  0.1018  0.5000  0.5424  1
  Fe  Fe2  1  0.8272  0.5000  0.4750  1
  Fe  Fe3  1  0.9026  0.0000  0.5470  1
  Te  Te4  1  0.2997  0.0000  0.5674  1
  Te  Te5  1  0.6103  0.0000  0.4608  1
  Te  Te6  1  0.8066  0.5000  0.6176  1
  Te  Te7  1  0.9975  0.5000  0.3572  1
]