data_[Na2In6Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.8041]
_cell_length_b [6.5852]
_cell_length_c [7.4157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaIn3Bi]
_chemical_formula_sum '[Na2 In6 Bi2]'
_cell_volume [321.0732]
_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  0.3471  0.0000  0.7441  1.0
  In  In1  4  0.4087  0.2374  0.3067  1.0
  In  In2  2  0.0497  0.0000  0.0272  1.0
  Bi  Bi3  2  0.2829  0.5000  0.6092  1.0
]