data_[Zr1V1Cr2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [5.2107]
_cell_length_b [5.2917]
_cell_length_c [5.5615]
_cell_angle_alpha [62.6605]
_cell_angle_beta [89.6442]
_cell_angle_gamma [61.4883]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZrVCr2O6]
_chemical_formula_sum '[Zr1 V1 Cr2 O6]'
_cell_volume [115.1575]
_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
[
  Zr  Zr0  1  0.1874  0.6222  0.5588  1.0
  V  V1  1  0.6837  0.6257  0.0562  1.0
  Cr  Cr2  1  0.4830  0.0327  0.4533  1.0
  Cr  Cr3  1  0.9739  0.0470  0.9402  1.0
  O  O4  1  0.0878  0.1391  0.2484  1.0
  O  O5  1  0.2900  0.1324  0.7478  1.0
  O  O6  1  0.4223  0.4924  0.2684  1.0
  O  O7  1  0.5617  0.5681  0.7430  1.0
  O  O8  1  0.7740  0.8323  0.2491  1.0
  O  O9  1  0.8745  0.8312  0.7500  1.0
]