data_[Ta2Cu2Bi4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [5.7337]
_cell_length_b [5.1685]
_cell_length_c [11.3152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaCu(BiO3)2]
_chemical_formula_sum '[Ta2 Cu2 Bi4 O12]'
_cell_volume [292.0691]
_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
[
  Ta  Ta0  2  0.5000  0.0000  0.0000  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  4  0.2026  0.5194  0.7044  1.0
  O  O3  4  0.1879  0.7155  0.4785  1.0
  O  O4  4  0.2303  0.2158  0.8471  1.0
  O  O5  4  0.4566  0.2148  0.1383  1.0
]