data_[Sc2Ta2V2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7163]
_cell_length_b [4.7163]
_cell_length_c [9.3149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [ScTaVO6]
_chemical_formula_sum '[Sc2 Ta2 V2 O12]'
_cell_volume [207.1957]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.3293  1.0
  Ta  Ta1  2  0.0000  0.0000  0.6670  1.0
  V  V2  2  0.0000  0.0000  0.9995  1.0
  O  O3  4  0.1872  0.8128  0.8341  1.0
  O  O4  4  0.2009  0.7991  0.1580  1.0
  O  O5  4  0.2086  0.7914  0.5100  1.0
]