data_[Sc2V4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6327]
_cell_length_b [3.6945]
_cell_length_c [6.6049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScV2O6]
_chemical_formula_sum '[Sc2 V4 O12]'
_cell_volume [210.8397]
_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  0.0431  0.0000  0.0412  1.0
  V  V1  2  0.1843  0.0000  0.6343  1.0
  V  V2  2  0.3233  0.5000  0.3799  1.0
  O  O3  2  0.0249  0.0000  0.7036  1.0
  O  O4  2  0.1472  0.5000  0.0977  1.0
  O  O5  2  0.1956  0.5000  0.5734  1.0
  O  O6  2  0.2665  0.0000  0.3953  1.0
  O  O7  2  0.3441  0.0000  0.8850  1.0
  O  O8  2  0.4689  0.5000  0.2897  1.0
]