data_[Co4Ge4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7927]
_cell_length_b [5.6988]
_cell_length_c [5.8526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CoGeS]
_chemical_formula_sum '[Co4 Ge4 S4]'
_cell_volume [174.8412]
_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
[
  Co  Co0  2  0.2540  0.9972  0.5528  1
  Co  Co1  2  0.2908  0.4983  0.0243  1
  Ge  Ge2  2  0.1512  0.1317  0.1186  1
  Ge  Ge3  2  0.3458  0.6336  0.4264  1
  S  S4  2  0.1501  0.3697  0.6220  1
  S  S5  2  0.3392  0.8656  0.9278  1
]