data_[Tm4C4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7618]
_cell_length_b [3.6715]
_cell_length_c [10.1013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmCCl]
_chemical_formula_sum '[Tm4 C4 Cl4]'
_cell_volume [249.2610]
_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  0.1471  0.0000  0.1458  1.0
  C  C1  4  0.0743  0.5000  0.9612  1.0
  Cl  Cl2  4  0.1751  0.0000  0.6853  1.0
]