data_[Tl4Cu4Bi4O12]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9896]
_cell_length_b [3.9413]
_cell_length_c [8.2619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCuBiO3]
_chemical_formula_sum '[Tl4 Cu4 Bi4 O12]'
_cell_volume [412.1531]
_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  0.1522  0.5000  0.1102  1.0
  Cu  Cu1  4  0.0043  0.0000  0.2936  1.0
  Bi  Bi2  4  0.1481  0.5000  0.5680  1.0
  O  O3  4  0.0013  0.5000  0.3218  1.0
  O  O4  4  0.1449  0.0000  0.7154  1.0
  O  O5  4  0.1560  0.0000  0.3276  1.0
]