data_[Ca8Tl4Bi4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  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 [3.4944]
_cell_length_b [14.3001]
_cell_length_c [11.7078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2TlBiO5]
_chemical_formula_sum '[Ca8 Tl4 Bi4 O20]'
_cell_volume [585.0372]
_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
[
  Ca  Ca0  4  0.0000  0.1345  0.2336  1.0
  Ca  Ca1  4  0.0000  0.1397  0.7240  1.0
  Tl  Tl2  4  0.0000  0.4991  0.4761  1.0
  Bi  Bi3  4  0.0000  0.2428  0.9915  1.0
  O  O4  4  0.0000  0.0841  0.0296  1.0
  O  O5  4  0.0000  0.2809  0.6264  1.0
  O  O6  4  0.0000  0.2814  0.3421  1.0
  O  O7  4  0.0000  0.3879  0.0980  1.0
  O  O8  4  0.0000  0.4571  0.8027  1.0
]