data_[Ca1Ta2Bi2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P-1]
_cell_length_a [3.9213]
_cell_length_b [3.9679]
_cell_length_c [13.0493]
_cell_angle_alpha [93.0366]
_cell_angle_beta [97.9716]
_cell_angle_gamma [89.9962]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaTa2Bi2O9]
_chemical_formula_sum '[Ca1 Ta2 Bi2 O9]'
_cell_volume [200.7879]
_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
[
  Ca  Ca0  1  0.5000  0.5000  0.0000  1.0
  Ta  Ta1  2  0.0767  0.0382  0.1606  1.0
  Bi  Bi2  2  0.2795  0.2286  0.5992  1.0
  O  O3  2  0.0657  0.5242  0.1414  1.0
  O  O4  2  0.1385  0.0410  0.3090  1.0
  O  O5  2  0.2483  0.7506  0.5052  1.0
  O  O6  2  0.4328  0.9834  0.8561  1.0
  O  O7  1  0.0000  0.0000  0.0000  1.0
]