data_[Li4Ta2Mn4S12]
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 [5.7599]
_cell_length_b [10.0759]
_cell_length_c [6.5271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ta(MnS3)2]
_chemical_formula_sum '[Li4 Ta2 Mn4 S12]'
_cell_volume [363.5716]
_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  0.1637  0.0000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  4  0.0000  0.3433  0.5000  1.0
  S  S3  8  0.2437  0.1774  0.7194  1.0
  S  S4  4  0.2228  0.5000  0.7322  1.0
]