data_[Ca4Ta2Bi2O12]
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 [C2/m]
_cell_length_a [9.9929]
_cell_length_b [5.9222]
_cell_length_c [5.8055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2TaBiO6]
_chemical_formula_sum '[Ca4 Ta2 Bi2 O12]'
_cell_volume [286.2902]
_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
[
  Ca  Ca0  4  0.2473  0.0000  0.7123  1.0
  Ta  Ta1  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0769  0.2641  0.3508  1.0
  O  O4  4  0.2208  0.5000  0.8573  1.0
]