data_[Na1Y1Be1Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2902]
_cell_length_b [5.2902]
_cell_length_c [4.7845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaYBeBi2]
_chemical_formula_sum '[Na1 Y1 Be1 Bi2]'
_cell_volume [133.9014]
_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  1  0.0000  0.0000  0.5000  1
  Y  Y1  1  0.5000  0.5000  0.5000  1
  Be  Be2  1  0.0000  0.0000  0.0000  1
  Bi  Bi3  2  0.0000  0.5000  0.0000  1
]