data_[Tm6Sc2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.8685]
_cell_length_b [8.8012]
_cell_length_c [6.8157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tm3ScAu2]
_chemical_formula_sum '[Tm6 Sc2 Au4]'
_cell_volume [292.0409]
_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  2  0.0000  0.0682  0.4878  1
  Tm  Tm1  2  0.0000  0.3351  0.8449  1
  Tm  Tm2  2  0.5000  0.1751  0.1538  1
  Sc  Sc3  2  0.5000  0.4302  0.5132  1
  Au  Au4  2  0.0000  0.3473  0.2647  1
  Au  Au5  2  0.5000  0.1540  0.7356  1
]