data_[Tl4Cu8O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.5819]
_cell_length_b [6.1893]
_cell_length_c [9.0557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tl(CuO)2]
_chemical_formula_sum '[Tl4 Cu8 O8]'
_cell_volume [312.8570]
_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  0.0000  0.2500  0.8939  1.0
  Cu  Cu1  4  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  4  0.2500  0.2500  0.2500  1.0
  O  O3  8  0.0000  0.0352  0.2989  1.0
]