data_[Tm12Tl4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1470]
_cell_length_b [8.5531]
_cell_length_c [11.1500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6Tl2Au]
_chemical_formula_sum '[Tm12 Tl4 Au2]'
_cell_volume [507.5974]
_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  4  0.1026  0.0290  0.2169  1
  Tm  Tm1  4  0.1547  0.6815  0.0560  1
  Tm  Tm2  4  0.4450  0.1728  0.0588  1
  Tl  Tl3  4  0.3281  0.1263  0.7497  1
  Au  Au4  2  0.5000  0.0000  0.5000  1
]