data_[Ba3Sr9Zr6Ti6O36]
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
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7753]
_cell_length_b [5.7753]
_cell_length_c [28.5660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaSr3Zr2Ti2O12]
_chemical_formula_sum '[Ba3 Sr9 Zr6 Ti6 O36]'
_cell_volume [825.1532]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3766  1.0
  Sr  Sr1  3  0.0000  0.0000  0.1239  1.0
  Sr  Sr2  3  0.0000  0.0000  0.6155  1.0
  Sr  Sr3  3  0.0000  0.0000  0.8666  1.0
  Zr  Zr4  3  0.0000  0.0000  0.0002  1.0
  Zr  Zr5  3  0.0000  0.0000  0.2465  1.0
  Ti  Ti6  3  0.0000  0.0000  0.4962  1.0
  Ti  Ti7  3  0.0000  0.0000  0.7493  1.0
  O  O8  9  0.0077  0.5038  0.3807  1.0
  O  O9  9  0.1672  0.3343  0.4607  1.0
  O  O10  9  0.1675  0.3349  0.9592  1.0
  O  O11  9  0.1739  0.3477  0.2068  1.0
]