data_[Zr4Cd4In4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1798]
_cell_length_b [15.3337]
_cell_length_c [11.1582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ZrCdInTe3]
_chemical_formula_sum '[Zr4 Cd4 In4 Te12]'
_cell_volume [715.1589]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.0000  0.5000  0.0000  1
  Cd  Cd1  4  0.0000  0.0407  0.2500  1
  In  In2  4  0.0000  0.2638  0.7500  1
  Te  Te3  8  0.0000  0.1376  0.0358  1
  Te  Te4  4  0.0000  0.4138  0.2500  1
]