data_[Li10Mn2O8]
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 [Pmn2_1]
_cell_length_a [7.3448]
_cell_length_b [5.1177]
_cell_length_c [5.0176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li5MnO4]
_chemical_formula_sum '[Li10 Mn2 O8]'
_cell_volume [188.6020]
_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  0.1759  0.9182  0.4430  1.0
  Li  Li1  4  0.1862  0.4165  0.2742  1.0
  Li  Li2  2  0.0000  0.3334  0.7268  1.0
  Mn  Mn3  2  0.0000  0.8475  0.9815  1.0
  O  O4  4  0.2415  0.7581  0.1009  1.0
  O  O5  2  0.0000  0.1953  0.1154  1.0
  O  O6  2  0.0000  0.7005  0.6320  1.0
]