data_[Ta1V1Cr2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2151]
_cell_length_b [5.3153]
_cell_length_c [5.5727]
_cell_angle_alpha [117.4873]
_cell_angle_beta [90.0665]
_cell_angle_gamma [118.5012]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TaVCr2O6]
_chemical_formula_sum '[Ta1 V1 Cr2 O6]'
_cell_volume [115.4715]
_cell_formula_units_Z [1]
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  1  0.3081  0.6133  0.9349  1.0
  V  V1  1  0.8189  0.6278  0.4512  1.0
  Cr  Cr2  1  0.0320  0.0539  0.0772  1.0
  Cr  Cr3  1  0.5134  0.0265  0.5340  1.0
  O  O4  1  0.1239  0.8261  0.2475  1.0
  O  O5  1  0.2372  0.8334  0.7616  1.0
  O  O6  1  0.4384  0.5703  0.2503  1.0
  O  O7  1  0.5621  0.4875  0.7256  1.0
  O  O8  1  0.6978  0.1154  0.2425  1.0
  O  O9  1  0.9297  0.1691  0.7600  1.0
]