data_[Ti2Cu2Bi4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [P2_1/c]
_cell_length_a [5.3427]
_cell_length_b [5.5370]
_cell_length_c [10.0332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TiCu(BiO3)2]
_chemical_formula_sum '[Ti2 Cu2 Bi4 O12]'
_cell_volume [255.8286]
_cell_formula_units_Z [2]
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
[
  Ti  Ti0  2  0.5000  0.0000  0.0000  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  4  0.2130  0.5516  0.7398  1.0
  O  O3  4  0.1579  0.7093  0.4517  1.0
  O  O4  4  0.2245  0.2135  0.4307  1.0
  O  O5  4  0.4021  0.5486  0.2859  1.0
]