data_[Li16V8C16O48]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.6048]
_cell_length_b [10.5833]
_cell_length_c [9.8622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2V(CO3)2]
_chemical_formula_sum '[Li16 V8 C16 O48]'
_cell_volume [1123.4125]
_cell_formula_units_Z [8]
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  4  0.1765  0.0016  0.4261  1
  Li  Li1  4  0.2461  0.4653  0.0010  1
  Li  Li2  2  0.0000  0.3165  0.5000  1
  Li  Li3  2  0.0000  0.3743  0.0000  1
  Li  Li4  2  0.0000  0.6247  0.5000  1
  Li  Li5  2  0.0000  0.6794  0.0000  1
  V  V6  4  0.0339  0.5005  0.2842  1
  V  V7  2  0.0000  0.0270  0.5000  1
  V  V8  2  0.0000  0.9703  0.0000  1
  C  C9  4  0.0365  0.2012  0.2671  1
  C  C10  4  0.0371  0.7980  0.3061  1
  C  C11  4  0.2038  0.5316  0.1905  1
  C  C12  4  0.2043  0.4643  0.7190  1
  O  O13  4  0.0203  0.3129  0.1979  1
  O  O14  4  0.0215  0.6873  0.3454  1
  O  O15  4  0.0355  0.8091  0.1732  1
  O  O16  4  0.0357  0.1882  0.3975  1
  O  O17  4  0.0567  0.1062  0.2089  1
  O  O18  4  0.0568  0.8946  0.4022  1
  O  O19  4  0.1037  0.5316  0.0132  1
  O  O20  4  0.1053  0.4577  0.6990  1
  O  O21  4  0.1884  0.9646  0.1148  1
  O  O22  4  0.1897  0.0228  0.7626  1
  O  O23  4  0.1904  0.4685  0.5759  1
  O  O24  4  0.1911  0.5388  0.3072  1
]