data_[Tm4Sn2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0247]
_cell_length_b [4.4250]
_cell_length_c [8.1355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm2SnAu]
_chemical_formula_sum '[Tm4 Sn2 Au2]'
_cell_volume [202.4340]
_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  0.2047  0.7500  0.4378  1.0
  Tm  Tm1  2  0.2254  0.7500  0.9170  1.0
  Sn  Sn2  2  0.3249  0.2500  0.2088  1.0
  Au  Au3  2  0.3225  0.2500  0.7029  1.0
]