data_[Ge4Pt4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [7.0550]
_cell_length_b [5.4718]
_cell_length_c [6.6983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [GePtSO]
_chemical_formula_sum '[Ge4 Pt4 S4 O4]'
_cell_volume [258.5792]
_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  0.2555  0.1689  0.7500  1
  Pt  Pt1  4  0.0000  0.0000  0.0000  1
  S  S2  4  0.4934  0.2500  0.0000  1
  O  O3  4  0.1670  0.0071  0.2500  1
]