data_[Tm4Co4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3201]
_cell_length_b [4.0904]
_cell_length_c [9.4158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmCoS]
_chemical_formula_sum '[Tm4 Co4 S4]'
_cell_volume [281.2977]
_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
[
  Tm  Tm0  4  0.0192  0.5000  0.6925  1
  Co  Co1  4  0.1759  0.0000  0.4697  1
  S  S2  4  0.1423  0.0000  0.1990  1
]