data_[Sr9La3Ta9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [R3m]
_cell_length_a [5.6891]
_cell_length_b [5.6891]
_cell_length_c [27.4457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3LaTa3O12]
_chemical_formula_sum '[Sr9 La3 Ta9 O36]'
_cell_volume [769.2897]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.1364  1.0
  Sr  Sr1  3  0.0000  0.0000  0.2847  1.0
  Sr  Sr2  3  0.0000  0.0000  0.7133  1.0
  La  La3  3  0.0000  0.0000  0.8559  1.0
  Ta  Ta4  3  0.0000  0.0000  0.0002  1.0
  Ta  Ta5  3  0.0000  0.0000  0.4234  1.0
  Ta  Ta6  3  0.0000  0.0000  0.5767  1.0
  O  O7  9  0.0006  0.5003  0.2932  1.0
  O  O8  9  0.0051  0.5026  0.8772  1.0
  O  O9  9  0.1668  0.3337  0.0422  1.0
  O  O10  9  0.1704  0.3408  0.4572  1.0
]