data_[Ti2Os2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9398]
_cell_length_b [5.7804]
_cell_length_c [5.8122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TiOsS4]
_chemical_formula_sum '[Ti2 Os2 S8]'
_cell_volume [199.3120]
_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  2  0.5000  0.0000  0.5000  1
  Os  Os1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.1119  0.1243  0.6309  1
  S  S3  4  0.3585  0.6332  0.6287  1
]