data_[Y16Cu4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4451]
_cell_length_b [5.0778]
_cell_length_c [6.7061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8Cu2Pd]
_chemical_formula_sum '[Y16 Cu4 Pd2]'
_cell_volume [568.5614]
_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
[
  Y  Y0  4  0.0329  0.0000  0.7863  1.0
  Y  Y1  4  0.0913  0.5000  0.4530  1.0
  Y  Y2  4  0.1699  0.5000  0.9829  1.0
  Y  Y3  4  0.2000  0.0000  0.3316  1.0
  Cu  Cu4  4  0.1833  0.0000  0.7266  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]