data_[Tm12Mg2Tl10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3158]
_cell_length_b [10.9558]
_cell_length_c [9.9549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6MgTl5]
_chemical_formula_sum '[Tm12 Mg2 Tl10]'
_cell_volume [673.1368]
_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  8  0.2489  0.3326  0.7485  1
  Tm  Tm1  4  0.2490  0.5000  0.2513  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.1666  0.5000  1
  Tl  Tl4  4  0.0000  0.3332  0.0000  1
  Tl  Tl5  2  0.0000  0.5000  0.5000  1
]