data_[Li10Mn2]
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]
_cell_length_a [8.5947]
_cell_length_b [4.8886]
_cell_length_c [5.4137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li5Mn]
_chemical_formula_sum '[Li10 Mn2]'
_cell_volume [192.9778]
_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  0.1651  0.3415  0.4977  1
  Li  Li1  4  0.1708  0.4952  0.0009  1
  Li  Li2  2  0.0000  0.9851  0.0000  1
  Mn  Mn3  2  0.0000  0.8445  0.5000  1
]