data_[La4Ta4O16]
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 [Cmc2_1]
_cell_length_a [3.9733]
_cell_length_b [14.9878]
_cell_length_c [5.6681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LaTaO4]
_chemical_formula_sum '[La4 Ta4 O16]'
_cell_volume [337.5398]
_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
[
  La  La0  4  0.0000  0.1755  0.6678  1.0
  Ta  Ta1  4  0.0000  0.4154  0.7167  1.0
  O  O2  4  0.0000  0.0885  0.2517  1.0
  O  O3  4  0.0000  0.3014  0.9257  1.0
  O  O4  4  0.0000  0.3364  0.4487  1.0
  O  O5  4  0.0000  0.4713  0.0560  1.0
]