data_[Tm12Re4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [7.4678]
_cell_length_b [10.3976]
_cell_length_c [7.3262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [Tm3ReO7]
_chemical_formula_sum '[Tm12 Re4 O28]'
_cell_volume [568.8606]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  8  0.2322  0.2330  0.2432  1
  Tm  Tm1  4  0.0372  0.5000  0.0000  1
  Re  Re2  4  0.0015  0.0000  0.0000  1
  O  O3  8  0.1818  0.1295  0.9612  1
  O  O4  8  0.2061  0.1230  0.5247  1
  O  O5  4  0.0000  0.0760  0.2500  1
  O  O6  4  0.0000  0.3621  0.2500  1
  O  O7  4  0.0000  0.3694  0.7500  1
]