data_[Tm2Co2Cl12]
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 [C2]
_cell_length_a [6.2874]
_cell_length_b [10.8725]
_cell_length_c [6.3629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TmCoCl6]
_chemical_formula_sum '[Tm2 Co2 Cl12]'
_cell_volume [410.5261]
_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
[
  Tm  Tm0  2  0.0000  0.1664  0.0000  1
  Co  Co1  2  0.0000  0.8334  0.0000  1
  Cl  Cl2  4  0.2177  0.8322  0.7776  1
  Cl  Cl3  4  0.2178  0.9799  0.2271  1
  Cl  Cl4  4  0.2236  0.6880  0.2260  1
]