data_[Ba9Sr3Mg6Te6O36]
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
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7842]
_cell_length_b [5.7842]
_cell_length_c [28.3211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3SrMg2(TeO6)2]
_chemical_formula_sum '[Ba9 Sr3 Mg6 Te6 O36]'
_cell_volume [820.5913]
_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  0.1250  1.0
  Ba  Ba1  3  0.0000  0.0000  0.3747  1.0
  Ba  Ba2  3  0.0000  0.0000  0.8753  1.0
  Sr  Sr3  3  0.0000  0.0000  0.6250  1.0
  Mg  Mg4  3  0.0000  0.0000  0.5002  1.0
  Mg  Mg5  3  0.0000  0.0000  0.9998  1.0
  Te  Te6  3  0.0000  0.0000  0.2504  1.0
  Te  Te7  3  0.0000  0.0000  0.7496  1.0
  O  O8  9  0.0120  0.5060  0.8775  1.0
  O  O9  9  0.0166  0.5083  0.3760  1.0
  O  O10  9  0.1737  0.3474  0.9566  1.0
  O  O11  9  0.1739  0.3479  0.4565  1.0
]