data_[Ba2Sr4In4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1913]
_cell_length_b [4.1913]
_cell_length_c [21.0176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [BaSr2In2O6]
_chemical_formula_sum '[Ba2 Sr4 In4 O12]'
_cell_volume [369.2093]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.0000  0.0000  0.3172  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5009  1.0
  Sr  Sr2  2  0.0000  0.0000  0.6819  1.0
  In  In3  2  0.0000  0.0000  0.0981  1.0
  In  In4  2  0.0000  0.0000  0.9011  1.0
  O  O5  4  0.0000  0.5000  0.0793  1.0
  O  O6  4  0.0000  0.5000  0.4227  1.0
  O  O7  2  0.0000  0.0000  0.1975  1.0
  O  O8  2  0.0000  0.0000  0.7994  1.0
]