data_[Sc5Zn1Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2987]
_cell_length_b [3.2987]
_cell_length_c [16.7446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sc5ZnPd4]
_chemical_formula_sum '[Sc5 Zn1 Pd4]'
_cell_volume [182.2055]
_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
[
  Sc  Sc0  2  0.5000  0.5000  0.1004  1
  Sc  Sc1  2  0.5000  0.5000  0.2998  1
  Sc  Sc2  1  0.5000  0.5000  0.5000  1
  Zn  Zn3  1  0.0000  0.0000  0.0000  1
  Pd  Pd4  2  0.0000  0.0000  0.1992  1
  Pd  Pd5  2  0.0000  0.0000  0.3994  1
]