data_[Ca8V4Zn4O20]
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 [Cmc2_1]
_cell_length_a [3.1715]
_cell_length_b [13.4363]
_cell_length_c [10.2542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2VZnO5]
_chemical_formula_sum '[Ca8 V4 Zn4 O20]'
_cell_volume [436.9648]
_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  0.1222  0.7271  1.0
  Ca  Ca1  4  0.0000  0.1253  0.2601  1.0
  V  V2  4  0.0000  0.2326  0.0086  1.0
  Zn  Zn3  4  0.0000  0.4873  0.4730  1.0
  O  O4  4  0.0000  0.0868  0.0248  1.0
  O  O5  4  0.0000  0.2760  0.3810  1.0
  O  O6  4  0.0000  0.2787  0.6377  1.0
  O  O7  4  0.0000  0.3682  0.0311  1.0
  O  O8  4  0.0000  0.4993  0.7806  1.0
]