data_[Na2Ca2Bi2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2_1/m]
_cell_length_a [4.8984]
_cell_length_b [3.7743]
_cell_length_c [11.0438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCaBiO3]
_chemical_formula_sum '[Na2 Ca2 Bi2 O6]'
_cell_volume [204.1662]
_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
[
  Na  Na0  2  0.2535  0.2500  0.4085  1.0
  Ca  Ca1  2  0.2520  0.7500  0.0619  1.0
  Bi  Bi2  2  0.2569  0.2500  0.7183  1.0
  O  O3  2  0.2483  0.2500  0.9438  1.0
  O  O4  2  0.2506  0.7500  0.6010  1.0
  O  O5  2  0.3045  0.7500  0.2669  1.0
]