data_[Tm5Cu4Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4197]
_cell_length_b [3.4197]
_cell_length_c [17.1588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tm5Cu4Pd]
_chemical_formula_sum '[Tm5 Cu4 Pd1]'
_cell_volume [200.6647]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.1006  1.0
  Tm  Tm1  2  0.5000  0.5000  0.3010  1.0
  Tm  Tm2  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.2016  1.0
  Cu  Cu4  2  0.0000  0.0000  0.4007  1.0
  Pd  Pd5  1  0.0000  0.0000  0.0000  1.0
]