data_[Tm4Pd10Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5598]
_cell_length_b [4.0716]
_cell_length_c [9.3395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2(PdAu)5]
_chemical_formula_sum '[Tm4 Pd10 Au10]'
_cell_volume [428.4901]
_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  0.0831  0.0000  0.7542  1.0
  Pd  Pd1  4  0.0799  0.5000  0.2485  1.0
  Pd  Pd2  4  0.1645  0.5000  0.0018  1.0
  Pd  Pd3  2  0.0000  0.5000  0.5000  1.0
  Au  Au4  4  0.1666  0.0000  0.4978  1.0
  Au  Au5  4  0.2482  0.0000  0.2447  1.0
  Au  Au6  2  0.0000  0.0000  0.0000  1.0
]