data_[Ca6Zr3Bi3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8027]
_cell_length_b [5.8027]
_cell_length_c [15.0129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ca2ZrBiO6]
_chemical_formula_sum '[Ca6 Zr3 Bi3 O18]'
_cell_volume [437.7850]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4697  1
  Ca  Ca1  3  0.0000  0.0000  0.9680  1
  Zr  Zr2  3  0.0000  0.0000  0.1868  1
  Bi  Bi3  3  0.0000  0.0000  0.6881  1
  O  O4  9  0.0570  0.7161  0.2522  1
  O  O5  9  0.0664  0.3692  0.7564  1
]