data_[Ta2Re2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4278]
_cell_length_b [7.6445]
_cell_length_c [5.4722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaReO6]
_chemical_formula_sum '[Ta2 Re2 O12]'
_cell_volume [227.0530]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.5000  1.0
  Re  Re1  2  0.5000  0.0000  0.0000  1.0
  O  O2  4  0.2588  0.5172  0.2402  1.0
  O  O3  4  0.2595  0.5275  0.7590  1.0
  O  O4  2  0.0498  0.2500  0.5113  1.0
  O  O5  2  0.4557  0.2500  0.9897  1.0
]