data_[Tm16Bi2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8848]
_cell_length_b [4.9773]
_cell_length_c [7.1276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8BiAu2]
_chemical_formula_sum '[Tm16 Bi2 Au4]'
_cell_volume [614.2690]
_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  0.0351  0.0000  0.7468  1.0
  Tm  Tm1  4  0.0918  0.5000  0.4611  1.0
  Tm  Tm2  4  0.1728  0.5000  0.9648  1.0
  Tm  Tm3  4  0.2034  0.0000  0.3291  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1934  0.0000  0.7210  1.0
]