data_[La4Ta4Ti4O24]
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
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.3142]
_cell_length_b [8.9144]
_cell_length_c [5.3081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LaTaTiO6]
_chemical_formula_sum '[La4 Ta4 Ti4 O24]'
_cell_volume [485.6019]
_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  2  0.0000  0.1953  0.0000  1.0
  La  La1  2  0.0000  0.8054  0.5000  1.0
  Ta  Ta2  4  0.2346  0.4186  0.7005  1.0
  Ti  Ti3  4  0.2353  0.5823  0.2010  1.0
  O  O4  4  0.1414  0.0438  0.3979  1.0
  O  O5  4  0.1414  0.5815  0.7941  1.0
  O  O6  4  0.1415  0.9571  0.8962  1.0
  O  O7  4  0.1415  0.4201  0.2901  1.0
  O  O8  4  0.1432  0.2540  0.7806  1.0
  O  O9  4  0.1452  0.7424  0.2811  1.0
]