data_[Li4Ca4V8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4310]
_cell_length_b [10.0362]
_cell_length_c [5.9417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCaV2O6]
_chemical_formula_sum '[Li4 Ca4 V8 O24]'
_cell_volume [576.1611]
_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
[
  Li  Li0  4  0.0000  0.2211  0.7500  1.0
  Ca  Ca1  4  0.0000  0.1057  0.2500  1.0
  V  V2  8  0.1954  0.4119  0.2038  1.0
  O  O3  8  0.1136  0.2610  0.1048  1.0
  O  O4  8  0.1229  0.0903  0.6735  1.0
  O  O5  8  0.1461  0.4747  0.4479  1.0
]