data_[Co3S3Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8728]
_cell_length_b [3.5502]
_cell_length_c [19.5959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Co3S3Cl]
_chemical_formula_sum '[Co3 S3 Cl1]'
_cell_volume [408.5693]
_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
[
  Co  Co0  1  0.3614  0.5000  0.5621  1
  Co  Co1  1  0.4888  0.0000  0.4759  1
  Co  Co2  1  0.5844  0.5000  0.3936  1
  S  S3  1  0.2864  0.5000  0.4546  1
  S  S4  1  0.5437  0.0000  0.5830  1
  S  S5  1  0.7753  0.0000  0.4026  1
  Cl  Cl6  1  0.0741  0.5000  0.6281  1
]