data_[Li5Mn3O8]
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 [2.9181]
_cell_length_b [5.9558]
_cell_length_c [8.2522]
_cell_angle_alpha [89.9789]
_cell_angle_beta [89.3068]
_cell_angle_gamma [88.0571]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li5Mn3O8]
_chemical_formula_sum '[Li5 Mn3 O8]'
_cell_volume [143.3290]
_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  0.0004  0.7431  0.2675  1.0
  Li  Li1  1  0.5000  0.0000  0.5000  1.0
  Li  Li2  1  0.5000  0.5000  0.0000  1.0
  Li  Li3  1  0.5000  0.5000  0.5000  1.0
  Mn  Mn4  2  0.0043  0.2568  0.2630  1.0
  Mn  Mn5  1  0.5000  0.0000  0.0000  1.0
  O  O6  2  0.0030  0.7510  0.5186  1.0
  O  O7  2  0.0372  0.2368  0.0098  1.0
  O  O8  2  0.4814  0.9718  0.7532  1.0
  O  O9  2  0.4908  0.4718  0.2490  1.0
]