data_[Li6Ta2Mn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  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 [6.2836]
_cell_length_b [10.8718]
_cell_length_c [6.3776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ta(MnS3)2]
_chemical_formula_sum '[Li6 Ta2 Mn4 S12]'
_cell_volume [411.2927]
_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  0.1649  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ta  Ta2  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn3  4  0.0000  0.3325  0.0000  1.0
  S  S4  8  0.2401  0.1616  0.2373  1.0
  S  S5  4  0.2457  0.0000  0.7664  1.0
]