data_[Li5Mn4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7833]
_cell_length_b [5.8293]
_cell_length_c [6.3391]
_cell_angle_alpha [115.8272]
_cell_angle_beta [116.6888]
_cell_angle_gamma [91.4544]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li5Mn4O8]
_chemical_formula_sum '[Li5 Mn4 O8]'
_cell_volume [165.2464]
_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  0.0777  0.1842  0.1684  1.0
  Li  Li1  1  0.0000  0.5000  0.0000  1.0
  Li  Li2  1  0.0000  0.5000  0.5000  1.0
  Li  Li3  1  0.5000  0.5000  0.5000  1.0
  Mn  Mn4  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn5  1  0.5000  0.0000  0.0000  1.0
  Mn  Mn6  1  0.5000  0.0000  0.5000  1.0
  Mn  Mn7  1  0.5000  0.5000  0.0000  1.0
  O  O8  2  0.2493  0.2219  0.9859  1.0
  O  O9  2  0.2549  0.7623  0.4983  1.0
  O  O10  2  0.2589  0.7540  0.9952  1.0
  O  O11  2  0.2752  0.2501  0.5243  1.0
]