data_[Li6Mn2V8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.4160]
_cell_length_b [9.2369]
_cell_length_c [5.8401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li3MnV4O12]
_chemical_formula_sum '[Li6 Mn2 V8 O24]'
_cell_volume [523.1652]
_cell_formula_units_Z [2]
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  2  0.0000  0.0998  0.5000  1.0
  Li  Li1  2  0.0000  0.2451  0.0000  1.0
  Li  Li2  2  0.0000  0.7624  0.5000  1.0
  Mn  Mn3  2  0.0000  0.9146  0.0000  1.0
  V  V4  4  0.2029  0.4042  0.4785  1.0
  V  V5  4  0.2063  0.5964  0.9781  1.0
  O  O6  4  0.1147  0.0946  0.9132  1.0
  O  O7  4  0.1191  0.8968  0.3961  1.0
  O  O8  4  0.1321  0.7648  0.9121  1.0
  O  O9  4  0.1340  0.2370  0.4191  1.0
  O  O10  4  0.1404  0.4973  0.6871  1.0
  O  O11  4  0.1448  0.4980  0.1909  1.0
]