data_[Ge4Os4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  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 [6.0252]
_cell_length_b [6.1210]
_cell_length_c [6.1119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GeOsS]
_chemical_formula_sum '[Ge4 Os4 S4]'
_cell_volume [196.7499]
_cell_formula_units_Z [4]
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
[
  Ge  Ge0  4  0.3378  0.1475  0.6765  1.0
  Os  Os1  4  0.2327  0.5098  0.4933  1.0
  S  S2  4  0.1636  0.6229  0.8300  1.0
]