data_[Tm6Al2In4Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8611]
_cell_length_b [13.3240]
_cell_length_c [7.5987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tm3AlIn2Au3]
_chemical_formula_sum '[Tm6 Al2 In4 Au6]'
_cell_volume [390.9176]
_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  0.5000  0.2019  0.7989  1
  Tm  Tm1  2  0.5000  0.0000  0.4078  1
  Al  Al2  2  0.0000  0.0000  0.7380  1
  In  In3  4  0.0000  0.1302  0.1308  1
  Au  Au4  4  0.0000  0.1605  0.5110  1
  Au  Au5  2  0.5000  0.0000  0.9727  1
]