data_[Li2Mn6]
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 [4.8769]
_cell_length_b [7.9678]
_cell_length_c [2.3464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiMn3]
_chemical_formula_sum '[Li2 Mn6]'
_cell_volume [86.2277]
_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  2  0.0000  0.9949  0.0000  1
  Mn  Mn1  4  0.2405  0.2466  0.5168  1
  Mn  Mn2  2  0.0000  0.5083  0.0000  1
]