data_[Y2Tm2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.8041]
_cell_length_b [11.8152]
_cell_length_c [6.4502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [YTmCl6]
_chemical_formula_sum '[Y2 Tm2 Cl12]'
_cell_volume [484.6669]
_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
[
  Y  Y0  2  0.0000  0.8346  0.0000  1
  Tm  Tm1  2  0.0000  0.1656  0.0000  1
  Cl  Cl2  4  0.2221  0.0025  0.2447  1
  Cl  Cl3  4  0.2378  0.1778  0.7599  1
  Cl  Cl4  4  0.2446  0.8196  0.7589  1
]