data_[Tl8Cu4Ag4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.8751]
_cell_length_b [16.6399]
_cell_length_c [5.8150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tl2CuAgAs2]
_chemical_formula_sum '[Tl8 Cu4 Ag4 As8]'
_cell_volume [568.4724]
_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  0.2306  0.1739  0.5000  1.0
  Cu  Cu1  4  0.0000  0.5000  0.2500  1.0
  Ag  Ag2  4  0.0000  0.0000  0.2500  1.0
  As  As3  8  0.2161  0.5964  0.0000  1.0
]