data_[Sc3Be51Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4163]
_cell_length_b [7.4163]
_cell_length_c [10.8112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ScBe17Pd]
_chemical_formula_sum '[Sc3 Be51 Pd3]'
_cell_volume [514.9742]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3414  1
  Be  Be1  18  0.0405  0.3694  0.6666  1
  Be  Be2  9  0.1713  0.8287  0.1769  1
  Be  Be3  9  0.1728  0.3456  0.4837  1
  Be  Be4  9  0.1736  0.3472  0.8376  1
  Be  Be5  3  0.0000  0.0000  0.0969  1
  Be  Be6  3  0.0000  0.0000  0.9002  1
  Pd  Pd7  3  0.0000  0.0000  0.6676  1
]