data_[V4Zn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.2399]
_cell_length_b [5.4658]
_cell_length_c [9.8776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [V2ZnO6]
_chemical_formula_sum '[V4 Zn2 O12]'
_cell_volume [282.8939]
_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
[
  V  V0  2  0.0000  0.0000  0.9382  1.0
  V  V1  2  0.5000  0.0000  0.0618  1.0
  Zn  Zn2  2  0.5000  0.0000  0.4295  1.0
  O  O3  8  0.2574  0.2238  0.9969  1.0
  O  O4  2  0.0000  0.0000  0.7754  1.0
  O  O5  2  0.5000  0.0000  0.2317  1.0
]