data_[Tm16Ir2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2962]
_cell_length_b [5.0425]
_cell_length_c [6.7039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8IrAu2]
_chemical_formula_sum '[Tm16 Ir2 Au4]'
_cell_volume [558.9993]
_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  0.0293  0.0000  0.7907  1.0
  Tm  Tm1  4  0.0903  0.5000  0.4351  1.0
  Tm  Tm2  4  0.1612  0.5000  0.9680  1.0
  Tm  Tm3  4  0.2025  0.0000  0.3135  1.0
  Ir  Ir4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1852  0.0000  0.7194  1.0
]