data_[Ba8Ca4Bi4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8313]
_cell_length_b [14.7015]
_cell_length_c [11.6275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CaBiO5]
_chemical_formula_sum '[Ba8 Ca4 Bi4 O20]'
_cell_volume [654.9263]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.1088  0.6888  1.0
  Ba  Ba1  4  0.0000  0.1493  0.2883  1.0
  Ca  Ca2  4  0.0000  0.2222  0.0150  1.0
  Bi  Bi3  4  0.0000  0.4680  0.4605  1.0
  O  O4  4  0.0000  0.0566  0.0464  1.0
  O  O5  4  0.0000  0.2786  0.6500  1.0
  O  O6  4  0.0000  0.3227  0.3865  1.0
  O  O7  4  0.0000  0.3809  0.0029  1.0
  O  O8  4  0.0000  0.4909  0.7856  1.0
]