data_[Tm2Ta6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2503]
_cell_length_b [7.4820]
_cell_length_c [8.3042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmTa3O9]
_chemical_formula_sum '[Tm2 Ta6 O18]'
_cell_volume [325.9037]
_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
[
  Tm  Tm0  2  0.0337  0.2500  0.4346  1
  Ta  Ta1  4  0.4710  0.0074  0.6958  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  O  O3  4  0.1458  0.5670  0.7833  1
  O  O4  4  0.2551  0.5455  0.4673  1
  O  O5  4  0.3278  0.5559  0.1201  1
  O  O6  2  0.1005  0.2500  0.9772  1
  O  O7  2  0.3288  0.2500  0.6513  1
  O  O8  2  0.4166  0.2500  0.3147  1
]