data_[Tm6Co6Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8363]
_cell_length_b [3.8363]
_cell_length_c [32.6466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TmCoCl]
_chemical_formula_sum '[Tm6 Co6 Cl6]'
_cell_volume [416.1005]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.0454  1
  Tm  Tm1  3  0.0000  0.0000  0.1583  1
  Co  Co2  3  0.0000  0.0000  0.4352  1
  Co  Co3  3  0.0000  0.0000  0.7685  1
  Cl  Cl4  3  0.0000  0.0000  0.3260  1
  Cl  Cl5  3  0.0000  0.0000  0.5444  1
]