data_[Na4Ca2Bi12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7781]
_cell_length_b [7.1776]
_cell_length_c [5.0898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2CaBi6]
_chemical_formula_sum '[Na4 Ca2 Bi12]'
_cell_volume [626.3257]
_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  4  0.1099  0.5000  0.6116  1.0
  Ca  Ca1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  8  0.1934  0.2206  0.1949  1.0
  Bi  Bi3  4  0.0000  0.2742  0.0000  1.0
]