data_[Th4Ge2Os1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  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/m]
_cell_length_a [7.2847]
_cell_length_b [4.2323]
_cell_length_c [7.3431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4Ge2OsS]
_chemical_formula_sum '[Th4 Ge2 Os1 S1]'
_cell_volume [212.8995]
_cell_formula_units_Z [1]
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
[
  Th  Th0  2  0.2328  0.0000  0.7332  1
  Th  Th1  2  0.2410  0.5000  0.2556  1
  Ge  Ge2  1  0.5000  0.0000  0.5000  1
  Ge  Ge3  1  0.5000  0.5000  0.0000  1
  Os  Os4  1  0.0000  0.5000  0.5000  1
  S  S5  1  0.0000  0.0000  0.0000  1
]