data_[Ba4Sr8O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1563]
_cell_length_b [3.6835]
_cell_length_c [12.9105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSr2O3]
_chemical_formula_sum '[Ba4 Sr8 O12]'
_cell_volume [539.2847]
_cell_formula_units_Z [4]
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  4  0.1440  0.0000  0.3366  1
  Sr  Sr1  4  0.1732  0.0000  0.7637  1
  Sr  Sr2  2  0.0000  0.0000  0.0000  1
  Sr  Sr3  2  0.0000  0.5000  0.5000  1
  O  O4  4  0.0393  0.5000  0.7114  1
  O  O5  4  0.1182  0.5000  0.1387  1
  O  O6  4  0.1640  0.0000  0.5674  1
]