data_[Na2In2Bi6]
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 [Pmn2_1]
_cell_length_a [6.8442]
_cell_length_b [7.3317]
_cell_length_c [6.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaInBi3]
_chemical_formula_sum '[Na2 In2 Bi6]'
_cell_volume [346.2948]
_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  0.0000  0.7305  0.0370  1.0
  In  In1  2  0.0000  0.3572  0.3873  1.0
  Bi  Bi2  4  0.2480  0.2975  0.0036  1.0
  Bi  Bi3  2  0.0000  0.0517  0.6926  1.0
]