data_[Tm12Co2Au4]
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 [P2_1/c]
_cell_length_a [6.6250]
_cell_length_b [7.2625]
_cell_length_c [11.5261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6CoAu2]
_chemical_formula_sum '[Tm12 Co2 Au4]'
_cell_volume [466.5047]
_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  0.1232  0.5222  0.7493  1.0
  Tm  Tm1  4  0.2281  0.1814  0.5594  1.0
  Tm  Tm2  4  0.3774  0.6882  0.5561  1.0
  Co  Co3  2  0.5000  0.0000  0.5000  1.0
  Au  Au4  4  0.3017  0.6081  0.2545  1.0
]