data_[Ca4V8Zn4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [C2/c]
_cell_length_a [9.2359]
_cell_length_b [10.8857]
_cell_length_c [6.1679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaV2ZnO6]
_chemical_formula_sum '[Ca4 V8 Zn4 O24]'
_cell_volume [559.9141]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.0000  0.0946  0.7500  1.0
  V  V1  8  0.1376  0.4156  0.6737  1.0
  Zn  Zn2  4  0.0000  0.1905  0.2500  1.0
  O  O3  8  0.1032  0.2625  0.5763  1.0
  O  O4  8  0.1127  0.4525  0.9601  1.0
  O  O5  8  0.1363  0.0738  0.1726  1.0
]