data_[Na4Yb4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Yb  1.1000  1.7500  1.0840
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0936]
_cell_length_b [4.7927]
_cell_length_c [9.6610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaYbBi]
_chemical_formula_sum '[Na4 Yb4 Bi4]'
_cell_volume [374.7536]
_cell_formula_units_Z [4]
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  0.1341  0.2500  0.4438  1.0
  Yb  Yb1  4  0.0448  0.2500  0.8241  1.0
  Bi  Bi2  4  0.2377  0.2500  0.1300  1.0
]