data_[Be6Pd6W9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Pd  2.2000  1.4000  0.8462
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2691]
_cell_length_b [4.2691]
_cell_length_c [18.5573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be2Pd2W3]
_chemical_formula_sum '[Be6 Pd6 W9]'
_cell_volume [292.8982]
_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  0.2371  1
  Be  Be1  3  0.0000  0.0000  0.8033  1
  Pd  Pd2  3  0.0000  0.0000  0.5189  1
  Pd  Pd3  3  0.0000  0.0000  0.9343  1
  W  W4  3  0.0000  0.0000  0.0925  1
  W  W5  3  0.0000  0.0000  0.3757  1
  W  W6  3  0.0000  0.0000  0.6632  1
]