data_[Ti4Mn2Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8469]
_cell_length_b [10.2659]
_cell_length_c [7.5752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Mn(AgS3)2]
_chemical_formula_sum '[Ti4 Mn2 Ag4 S12]'
_cell_volume [449.1654]
_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
[
  Ti  Ti0  4  0.0000  0.3442  0.5000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.0000  0.1534  0.0000  1.0
  S  S3  8  0.1193  0.1619  0.3165  1.0
  S  S4  4  0.1406  0.5000  0.3088  1.0
]