data_[Tm2Mg4Tl2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0388]
_cell_length_b [8.1517]
_cell_length_c [8.9142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmMg2TlCl8]
_chemical_formula_sum '[Tm2 Mg4 Tl2 Cl16]'
_cell_volume [705.8102]
_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  0.0000  0.0000  1.0
  Mg  Mg1  4  0.0486  0.5000  0.7143  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.0254  0.2255  0.2175  1.0
  Cl  Cl4  4  0.1668  0.5000  0.5111  1.0
  Cl  Cl5  4  0.2348  0.5000  0.9550  1.0
]