data_[Li2Mn1V3O8]
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 [P-1]
_cell_length_a [5.8471]
_cell_length_b [5.8979]
_cell_length_c [5.9578]
_cell_angle_alpha [117.8149]
_cell_angle_beta [117.8024]
_cell_angle_gamma [92.1017]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2MnV3O8]
_chemical_formula_sum '[Li2 Mn1 V3 O8]'
_cell_volume [152.0113]
_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  2  0.1145  0.3707  0.2292  1.0
  Mn  Mn1  1  0.5000  0.5000  0.0000  1.0
  V  V2  1  0.0000  0.0000  0.5000  1.0
  V  V3  1  0.5000  0.0000  0.0000  1.0
  V  V4  1  0.5000  0.0000  0.5000  1.0
  O  O5  2  0.2389  0.2127  0.4899  1.0
  O  O6  2  0.2538  0.2295  0.9594  1.0
  O  O7  2  0.2652  0.7869  0.5213  1.0
  O  O8  2  0.2945  0.7612  0.0474  1.0
]