data_[Li8Mn4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1917]
_cell_length_b [2.9387]
_cell_length_c [6.4162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Mn]
_chemical_formula_sum '[Li8 Mn4]'
_cell_volume [176.3639]
_cell_formula_units_Z [4]
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  0.1707  0.0000  0.3191  1
  Li  Li1  2  0.0000  0.5000  0.0000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Mn  Mn3  4  0.1930  0.0000  0.8929  1
]