data_[Li6Mn8V2O16]
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/m]
_cell_length_a [10.6270]
_cell_length_b [6.0326]
_cell_length_c [6.0165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Mn4VO8]
_chemical_formula_sum '[Li6 Mn8 V2 O16]'
_cell_volume [320.0464]
_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  4  0.2500  0.2500  0.0000  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  4  0.2500  0.2500  0.5000  1.0
  Mn  Mn3  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn4  2  0.0000  0.5000  0.5000  1.0
  V  V5  2  0.0000  0.5000  0.0000  1.0
  O  O6  8  0.0061  0.2563  0.7617  1.0
  O  O7  4  0.2264  0.5000  0.2427  1.0
  O  O8  4  0.2491  0.0000  0.2656  1.0
]