data_[Li8Y6Mn2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  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 [13.1574]
_cell_length_b [7.6261]
_cell_length_c [7.5823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Y3MnS8]
_chemical_formula_sum '[Li8 Y6 Mn2 S16]'
_cell_volume [629.2399]
_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  0.2500  0.2500  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Y  Y3  4  0.2500  0.2500  0.0000  1.0
  Y  Y4  2  0.0000  0.5000  0.5000  1.0
  Mn  Mn5  2  0.0000  0.0000  0.5000  1.0
  S  S6  8  0.0023  0.2215  0.2733  1.0
  S  S7  4  0.2328  0.5000  0.2362  1.0
  S  S8  4  0.2495  0.5000  0.7451  1.0
]