data_[Tl4Zn4Cd4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7853]
_cell_length_b [4.2186]
_cell_length_c [10.5962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlZnCdAs2]
_chemical_formula_sum '[Tl4 Zn4 Cd4 As8]'
_cell_volume [502.7467]
_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
[
  Tl  Tl0  4  0.1668  0.0000  0.6278  1
  Zn  Zn1  4  0.0699  0.0000  0.2198  1
  Cd  Cd2  4  0.1229  0.5000  0.8875  1
  As  As3  4  0.1025  0.5000  0.3691  1
  As  As4  4  0.1618  0.0000  0.0757  1
]