data_[Th4Ta12O38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [6.3689]
_cell_length_b [6.3689]
_cell_length_c [19.9473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Th2Ta6O19]
_chemical_formula_sum '[Th4 Ta12 O38]'
_cell_volume [700.7142]
_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
[
  Th  Th0  4  0.3333  0.6667  0.5000  1
  Ta  Ta1  12  0.0000  0.3488  0.6563  1
  O  O2  12  0.0000  0.2393  0.1588  1
  O  O3  12  0.0000  0.3657  0.5566  1
  O  O4  8  0.3333  0.6667  0.1430  1
  O  O5  6  0.0000  0.4146  0.7500  1
]