data_[Be4Pd4Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2971]
_cell_length_b [2.8017]
_cell_length_c [12.9582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BePdPt]
_chemical_formula_sum '[Be4 Pd4 Pt4]'
_cell_volume [156.0043]
_cell_formula_units_Z [4]
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  2  0.0000  0.0000  0.9759  1.0
  Be  Be1  2  0.5000  0.0000  0.1146  1.0
  Pd  Pd2  2  0.0000  0.0000  0.3311  1.0
  Pd  Pd3  2  0.5000  0.0000  0.4671  1.0
  Pt  Pt4  2  0.0000  0.0000  0.6181  1.0
  Pt  Pt5  2  0.5000  0.0000  0.7583  1.0
]