data_[Nb4Zn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9710]
_cell_length_b [3.8312]
_cell_length_c [6.6318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2ZnO6]
_chemical_formula_sum '[Nb4 Zn2 O12]'
_cell_volume [232.4282]
_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  4  0.1840  0.0000  0.6499  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.0157  0.0000  0.7150  1.0
  O  O3  4  0.1558  0.5000  0.0928  1.0
  O  O4  4  0.1956  0.5000  0.5689  1.0
]