data_[Co2Sn20S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [11.2389]
_cell_length_b [11.3539]
_cell_length_c [8.3116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Co(SnS)10]
_chemical_formula_sum '[Co2 Sn20 S20]'
_cell_volume [1060.6000]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.0000  1
  Sn  Sn1  8  0.1238  0.4068  0.2430  1
  Sn  Sn2  4  0.0000  0.0000  0.2378  1
  Sn  Sn3  4  0.1419  0.6753  0.0000  1
  Sn  Sn4  4  0.2336  0.6816  0.5000  1
  S  S5  8  0.1801  0.1838  0.1959  1
  S  S6  4  0.0041  0.3227  0.5000  1
  S  S7  4  0.1330  0.9020  0.0000  1
  S  S8  4  0.2179  0.9453  0.5000  1
]