data_[Tm16Co4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3382]
_cell_length_b [12.5999]
_cell_length_c [5.3543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Co2Au]
_chemical_formula_sum '[Tm16 Co4 Au2]'
_cell_volume [543.2723]
_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  8  0.2003  0.1313  0.0857  1
  Tm  Tm1  4  0.0000  0.2383  0.5000  1
  Tm  Tm2  4  0.1249  0.5000  0.3085  1
  Co  Co3  4  0.0000  0.3075  0.0000  1
  Au  Au4  2  0.0000  0.0000  0.5000  1
]