data_[La8Ta12O38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [9.1658]
_cell_length_b [9.1658]
_cell_length_c [9.1658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [La4Ta6O19]
_chemical_formula_sum '[La8 Ta12 O38]'
_cell_volume [770.0301]
_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
[
  La  La0  8  0.1550  0.8450  0.8450  1
  Ta  Ta1  12  0.0000  0.1539  0.5000  1
  O  O2  24  0.0392  0.2877  0.6776  1
  O  O3  12  0.0000  0.0000  0.3340  1
  O  O4  2  0.0000  0.0000  0.0000  1
]