data_[Tm24Bi12Au4]
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 [Cmc2_1]
_cell_length_a [10.9832]
_cell_length_b [15.7662]
_cell_length_c [6.9548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm6Bi3Au]
_chemical_formula_sum '[Tm24 Bi12 Au4]'
_cell_volume [1204.3039]
_cell_formula_units_Z [4]
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  0.1670  0.2684  0.7652  1
  Tm  Tm1  8  0.1994  0.4324  0.4021  1
  Tm  Tm2  4  0.0000  0.0121  0.2137  1
  Tm  Tm3  4  0.0000  0.2450  0.2997  1
  Bi  Bi4  8  0.1826  0.1039  0.4980  1
  Bi  Bi5  4  0.0000  0.4358  0.7253  1
  Au  Au6  4  0.0000  0.1515  0.9450  1
]