data_[Tm2Cr2In2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9178]
_cell_length_b [11.2562]
_cell_length_c [7.1346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TmCrInCl6]
_chemical_formula_sum '[Tm2 Cr2 In2 Cl12]'
_cell_volume [554.8079]
_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  0.3238  0.5000  1
  Cr  Cr1  2  0.0000  0.6638  0.5000  1
  In  In2  2  0.0000  0.0029  0.0000  1
  Cl  Cl3  4  0.1258  0.5092  0.7030  1
  Cl  Cl4  4  0.1756  0.1841  0.7352  1
  Cl  Cl5  4  0.1778  0.8113  0.6835  1
]