data_[Li6Mn6]
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 [9.2511]
_cell_length_b [2.7570]
_cell_length_c [6.7788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMn]
_chemical_formula_sum '[Li6 Mn6]'
_cell_volume [163.2813]
_cell_formula_units_Z [6]
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  0.1769  0.5000  0.3147  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Mn  Mn2  4  0.1644  0.5000  0.8854  1
  Mn  Mn3  2  0.0000  0.0000  0.0000  1
]