data_[Ba12Cr6Te6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9483]
_cell_length_b [5.9483]
_cell_length_c [29.8284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2CrTeO6]
_chemical_formula_sum '[Ba12 Cr6 Te6 O36]'
_cell_volume [914.0090]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1234  1
  Ba  Ba1  6  0.0000  0.0000  0.2894  1
  Cr  Cr2  6  0.0000  0.0000  0.4087  1
  Te  Te3  3  -0.0000  -0.0000  0.5000  1
  Te  Te4  3  0.0000  0.0000  0.0000  1
  O  O5  18  0.0047  0.5023  0.2911  1
  O  O6  18  0.0342  0.5171  0.1261  1
]