data_[Li6Ti4Mn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1255]
_cell_length_b [10.6111]
_cell_length_c [6.3956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ti2MnS6]
_chemical_formula_sum '[Li6 Ti4 Mn2 S12]'
_cell_volume [393.7945]
_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  0.0000  0.1648  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Ti  Ti2  4  0.0000  0.3329  0.0000  1
  Mn  Mn3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2492  0.1708  0.2347  1
  S  S5  4  0.2367  0.5000  0.2355  1
]