data_[Ta4Mn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [13.6227]
_cell_length_b [3.2981]
_cell_length_c [10.5590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2MnS6]
_chemical_formula_sum '[Ta4 Mn2 S12]'
_cell_volume [399.0987]
_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
[
  Ta  Ta0  4  0.1764  0.5000  0.2905  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.0169  0.0000  0.2276  1.0
  S  S3  4  0.1728  0.5000  0.5353  1.0
  S  S4  4  0.1992  0.0000  0.1296  1.0
]