data_[Ta4Sn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.3705]
_cell_length_b [9.3370]
_cell_length_c [7.1446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TaSnO3]
_chemical_formula_sum '[Ta4 Sn4 O12]'
_cell_volume [348.9135]
_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
[
  Ta  Ta0  2  0.0000  0.2660  0.5000  1.0
  Ta  Ta1  2  0.0000  0.6039  0.5000  1.0
  Sn  Sn2  2  0.0000  0.1078  0.0000  1.0
  Sn  Sn3  2  0.0000  0.4374  0.0000  1.0
  O  O4  4  0.0446  0.4328  0.3344  1.0
  O  O5  4  0.1470  0.1328  0.3303  1.0
  O  O6  4  0.1553  0.7285  0.3401  1.0
]