data_[Ta1Bi3O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7693]
_cell_length_b [3.9254]
_cell_length_c [12.8822]
_cell_angle_alpha [81.5972]
_cell_angle_beta [81.6671]
_cell_angle_gamma [61.9259]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TaBi3O7]
_chemical_formula_sum '[Ta1 Bi3 O7]'
_cell_volume [165.7397]
_cell_formula_units_Z [1]
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  1  0.4508  0.5409  0.5059  1
  Bi  Bi1  1  0.0047  0.9463  0.0155  1
  Bi  Bi2  1  0.2531  0.1867  0.2751  1
  Bi  Bi3  1  0.7573  0.7150  0.7377  1
  O  O4  1  0.0867  0.9706  0.8247  1
  O  O5  1  0.1986  0.1110  0.4695  1
  O  O6  1  0.3278  0.2891  0.0314  1
  O  O7  1  0.4746  0.3556  0.6595  1
  O  O8  1  0.5592  0.5036  0.3535  1
  O  O9  1  0.8474  0.7259  0.5455  1
  O  O10  1  0.9494  0.8738  0.1983  1
]