data_[Na3Lu1Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Lu  1.2700  1.7500  1.0010
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0932]
_cell_length_b [5.0932]
_cell_length_c [7.5296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na3LuBi2]
_chemical_formula_sum '[Na3 Lu1 Bi2]'
_cell_volume [169.1572]
_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  0.3333  0.6667  0.3271  1.0
  Na  Na1  1  0.0000  0.0000  0.5000  1.0
  Lu  Lu2  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  2  0.3333  0.6667  0.7959  1.0
]