data_[Ca4Zn2Bi2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5557]
_cell_length_b [5.6859]
_cell_length_c [9.7911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2ZnBiO6]
_chemical_formula_sum '[Ca4 Zn2 Bi2 O12]'
_cell_volume [265.8973]
_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  0.2099  0.0582  0.2387  1.0
  Zn  Zn1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1373  0.2135  0.9429  1.0
  O  O4  4  0.2125  0.7048  0.9251  1.0
  O  O5  4  0.3788  0.0463  0.7592  1.0
]