data_[Sr2Tl2Re2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5128]
_cell_length_b [10.1891]
_cell_length_c [5.1561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SrTlReO6]
_chemical_formula_sum '[Sr2 Tl2 Re2 O12]'
_cell_volume [288.8005]
_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
[
  Sr  Sr0  2  0.0000  0.0135  0.0000  1.0
  Tl  Tl1  2  0.0000  0.6772  0.5000  1.0
  Re  Re2  2  0.0000  0.3493  0.5000  1.0
  O  O3  4  0.1494  0.4674  0.3015  1.0
  O  O4  4  0.1611  0.1920  0.3047  1.0
  O  O5  4  0.2416  0.8204  0.2565  1.0
]