data_[Yb1Cu3Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0621]
_cell_length_b [5.0621]
_cell_length_c [4.2770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [YbCu3Pd2]
_chemical_formula_sum '[Yb1 Cu3 Pd2]'
_cell_volume [94.9132]
_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
[
  Yb  Yb0  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  3  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  2  0.3333  0.6667  0.0000  1.0
]