data_[Mg2Ti12Ag2S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  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 [14.0012]
_cell_length_b [10.2804]
_cell_length_c [5.9339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgTi6AgS12]
_chemical_formula_sum '[Mg2 Ti12 Ag2 S24]'
_cell_volume [774.0391]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti1  8  0.2494  0.1677  0.7465  1.0
  Ti  Ti2  4  0.2439  0.5000  0.7533  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.1353  0.1647  0.2996  1.0
  S  S5  8  0.1358  0.3280  0.8079  1.0
  S  S6  4  0.1346  0.0000  0.8019  1.0
  S  S7  4  0.1379  0.5000  0.2981  1.0
]