data_[Tm1Se4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3371]
_cell_length_b [7.3935]
_cell_length_c [7.5636]
_cell_angle_alpha [76.9548]
_cell_angle_beta [65.4721]
_cell_angle_gamma [70.2672]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm(Se2Cl3)2]
_chemical_formula_sum '[Tm1 Se4 Cl6]'
_cell_volume [349.5987]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Se  Se1  2  0.3407  0.7250  0.5130  1.0
  Se  Se2  2  0.3997  0.4575  0.3547  1.0
  Cl  Cl3  2  0.0089  0.2688  0.1732  1.0
  Cl  Cl4  2  0.0541  0.7481  0.2890  1.0
  Cl  Cl5  2  0.3988  0.9296  0.7974  1.0
]