data_[Ca4V4Zn4O16]
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 [Cmcm]
_cell_length_a [6.1187]
_cell_length_b [9.3732]
_cell_length_c [6.6261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaVZnO4]
_chemical_formula_sum '[Ca4 V4 Zn4 O16]'
_cell_volume [380.0197]
_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  0.5000  0.0000  1.0
  V  V1  4  0.0000  0.1482  0.7500  1.0
  Zn  Zn2  4  0.0000  0.1492  0.2500  1.0
  O  O3  8  0.0000  0.2444  0.5155  1.0
  O  O4  8  0.2266  0.0130  0.7500  1.0
]