data_[Li18V18Zn18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [R3]
_cell_length_a [14.4237]
_cell_length_b [14.4237]
_cell_length_c [9.6000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiVZnO4]
_chemical_formula_sum '[Li18 V18 Zn18 O72]'
_cell_volume [1729.6448]
_cell_formula_units_Z [18]
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
[
  Li  Li0  9  0.0201  0.2113  0.4171  1
  Li  Li1  9  0.1409  0.6830  0.5827  1
  V  V2  9  0.0143  0.2103  0.7498  1
  V  V3  9  0.1379  0.6817  0.9162  1
  Zn  Zn4  9  0.0172  0.2122  0.0840  1
  Zn  Zn5  9  0.1382  0.6847  0.2496  1
  O  O6  9  0.0006  0.3241  0.7495  1
  O  O7  9  0.0111  0.6696  0.9165  1
  O  O8  9  0.0785  0.2069  0.9028  1
  O  O9  9  0.0845  0.2096  0.6020  1
  O  O10  9  0.0992  0.2133  0.2471  1
  O  O11  9  0.2069  0.7472  0.0683  1
  O  O12  9  0.2071  0.7488  0.7665  1
  O  O13  9  0.2132  0.1144  0.7478  1
]