data_[Sr2Ti1Bi1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.8054]
_cell_length_b [5.8054]
_cell_length_c [4.4692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Sr2TiBiO6]
_chemical_formula_sum '[Sr2 Ti1 Bi1 O6]'
_cell_volume [150.6208]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0501  1.0
  Ti  Ti1  1  0.0000  0.0000  0.5961  1.0
  Bi  Bi2  1  0.5000  0.5000  0.6220  1.0
  O  O3  4  0.2335  0.2335  0.6985  1.0
  O  O4  1  0.0000  0.0000  0.2002  1.0
  O  O5  1  0.5000  0.5000  0.1344  1.0
]