data_[Nb2V2Ga2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.6502]
_cell_length_b [4.6502]
_cell_length_c [9.1437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NbVGaO6]
_chemical_formula_sum '[Nb2 V2 Ga2 O12]'
_cell_volume [197.7273]
_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
[
  Nb  Nb0  2  0.0000  0.0000  0.6713  1.0
  V  V1  2  0.0000  0.0000  0.0025  1.0
  Ga  Ga2  2  0.0000  0.0000  0.3332  1.0
  O  O3  4  0.1933  0.8067  0.1641  1.0
  O  O4  4  0.1976  0.8024  0.8327  1.0
  O  O5  4  0.2054  0.7946  0.4998  1.0
]