data_[Co4Ge4S12]
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/c]
_cell_length_a [7.8122]
_cell_length_b [5.8031]
_cell_length_c [7.9321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoGeS3]
_chemical_formula_sum '[Co4 Ge4 S12]'
_cell_volume [335.4384]
_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  4  0.0804  0.7452  0.6134  1
  Ge  Ge1  4  0.3808  0.2345  0.3455  1
  S  S2  4  0.0879  0.5584  0.8704  1
  S  S3  4  0.1865  0.0863  0.0433  1
  S  S4  4  0.3724  0.6393  0.2762  1
]