data_[Tl12Cu8O16]
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 [C2/c]
_cell_length_a [17.0364]
_cell_length_b [7.3325]
_cell_length_c [5.5599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(CuO2)2]
_chemical_formula_sum '[Tl12 Cu8 O16]'
_cell_volume [658.8436]
_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  0.1348  0.1663  0.3994  1
  Tl  Tl1  4  0.0000  0.3274  0.7500  1
  Cu  Cu2  8  0.1880  0.3921  0.9592  1
  O  O3  8  0.1244  0.4799  0.1628  1
  O  O4  8  0.2494  0.2313  0.2194  1
]