data_[Tl4In4Cu4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0126]
_cell_length_b [4.0401]
_cell_length_c [9.0696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlInCuO3]
_chemical_formula_sum '[Tl4 In4 Cu4 O12]'
_cell_volume [419.6025]
_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  0.1626  0.5000  0.1134  1.0
  In  In1  4  0.1360  0.5000  0.6031  1.0
  Cu  Cu2  4  0.0395  0.0000  0.3227  1.0
  O  O3  4  0.0416  0.5000  0.3574  1.0
  O  O4  4  0.1196  0.0000  0.6795  1.0
  O  O5  4  0.1849  0.0000  0.2848  1.0
]