data_[Be6Sn6Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3233]
_cell_length_b [4.3233]
_cell_length_c [20.9371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be2Sn2Pd3]
_chemical_formula_sum '[Be6 Sn6 Pd9]'
_cell_volume [338.9071]
_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
[
  Be  Be0  3  0.0000  0.0000  0.2467  1
  Be  Be1  3  0.0000  0.0000  0.7516  1
  Sn  Sn2  3  0.0000  0.0000  0.5060  1
  Sn  Sn3  3  0.0000  0.0000  0.9910  1
  Pd  Pd4  3  0.0000  0.0000  0.1237  1
  Pd  Pd5  3  0.0000  0.0000  0.3779  1
  Pd  Pd6  3  0.0000  0.0000  0.6280  1
]