data_[Tm16Os2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Os  2.2000  1.3000  0.6730
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1478]
_cell_length_b [5.0573]
_cell_length_c [6.7676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8OsAu2]
_chemical_formula_sum '[Tm16 Os2 Au4]'
_cell_volume [556.3649]
_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  0.0285  0.0000  0.7971  1.0
  Tm  Tm1  4  0.0920  0.5000  0.4334  1.0
  Tm  Tm2  4  0.1620  0.5000  0.9633  1.0
  Tm  Tm3  4  0.1985  0.0000  0.3038  1.0
  Os  Os4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1837  0.0000  0.7070  1.0
]