data_[Li1V2C4O12]
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 [P1]
_cell_length_a [5.7327]
_cell_length_b [6.5056]
_cell_length_c [8.1449]
_cell_angle_alpha [85.7306]
_cell_angle_beta [74.6596]
_cell_angle_gamma [67.2653]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiV2(CO3)4]
_chemical_formula_sum '[Li1 V2 C4 O12]'
_cell_volume [270.0435]
_cell_formula_units_Z [1]
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  1  0.2626  0.4875  0.8161  1.0
  V  V1  1  0.0936  0.9796  0.0003  1.0
  V  V2  1  0.8653  0.5157  0.5023  1.0
  C  C3  1  0.0037  0.6306  0.2165  1.0
  C  C4  1  0.0244  0.1213  0.2795  1.0
  C  C5  1  0.4203  0.8824  0.7243  1.0
  C  C6  1  0.8335  0.3459  0.7906  1.0
  O  O7  1  0.0040  0.1997  0.4228  1.0
  O  O8  1  0.0174  0.4185  0.7175  1.0
  O  O9  1  0.0953  0.6843  0.0573  1.0
  O  O10  1  0.1316  0.6083  0.3301  1.0
  O  O11  1  0.2211  0.8196  0.7640  1.0
  O  O12  1  0.2405  0.0771  0.1532  1.0
  O  O13  1  0.4086  0.0162  0.8411  1.0
  O  O14  1  0.6070  0.8182  0.5915  1.0
  O  O15  1  0.6429  0.3963  0.7205  1.0
  O  O16  1  0.7939  0.5925  0.2581  1.0
  O  O17  1  0.8366  0.2336  0.9291  1.0
  O  O18  1  0.8471  0.0767  0.2378  1.0
]