data_[Ba10Sr2O12]
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 [6.8081]
_cell_length_b [11.7954]
_cell_length_c [6.7979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5SrO6]
_chemical_formula_sum '[Ba10 Sr2 O12]'
_cell_volume [514.6989]
_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  4  0.0000  0.1642  0.5000  1.0
  Ba  Ba1  4  0.0000  0.3328  0.0000  1.0
  Ba  Ba2  2  0.0000  0.5000  0.5000  1.0
  Sr  Sr3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2416  0.1603  0.2438  1.0
  O  O5  4  0.2393  0.0000  0.7546  1.0
]