data_[La2Y1Bi1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.6231]
_cell_length_b [5.6231]
_cell_length_c [5.7305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [La2YBiO6]
_chemical_formula_sum '[La2 Y1 Bi1 O6]'
_cell_volume [181.1952]
_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
[
  La  La0  2  0.0000  0.5000  0.9840  1
  Y  Y1  1  0.0000  0.0000  0.5711  1
  Bi  Bi2  1  0.5000  0.5000  0.5599  1
  O  O3  4  0.2467  0.2467  0.7484  1
  O  O4  1  0.0000  0.0000  0.1947  1
  O  O5  1  0.5000  0.5000  0.1594  1
]