data_[Na4In4Bi5]
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 [P-1]
_cell_length_a [4.8719]
_cell_length_b [9.2409]
_cell_length_c [9.7007]
_cell_angle_alpha [101.7899]
_cell_angle_beta [98.8639]
_cell_angle_gamma [97.0752]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na4In4Bi5]
_chemical_formula_sum '[Na4 In4 Bi5]'
_cell_volume [416.9771]
_cell_formula_units_Z [1]
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  0.2673  0.8676  0.6644  1
  Na  Na1  2  0.2702  0.4334  0.3066  1
  In  In2  2  0.1612  0.3950  0.8845  1
  In  In3  2  0.1823  0.9037  0.3106  1
  Bi  Bi4  2  0.3171  0.2371  0.5682  1
  Bi  Bi5  2  0.4083  0.7452  0.9439  1
  Bi  Bi6  1  0.0000  0.0000  0.0000  1
]