data_[Tl8Zn4Cu4As8]
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
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.5662]
_cell_length_b [17.8637]
_cell_length_c [5.7067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tl2ZnCuAs2]
_chemical_formula_sum '[Tl8 Zn4 Cu4 As8]'
_cell_volume [567.4355]
_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  8  0.2407  0.1743  0.0000  1.0
  Zn  Zn1  4  0.0000  0.0000  0.2500  1.0
  Cu  Cu2  4  0.0000  0.5000  0.2500  1.0
  As  As3  8  0.2374  0.4112  0.0000  1.0
]