data_[Be2Hg4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.9959]
_cell_length_b [12.9561]
_cell_length_c [7.4388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Be(HgPd3)2]
_chemical_formula_sum '[Be2 Hg4 Pd12]'
_cell_volume [288.7433]
_cell_formula_units_Z [2]
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  0.5000  0.0000  0.0040  1.0
  Hg  Hg1  4  0.0000  0.1688  0.5005  1.0
  Pd  Pd2  4  0.0000  0.1175  0.8790  1.0
  Pd  Pd3  4  0.5000  0.1809  0.1819  1.0
  Pd  Pd4  2  0.0000  0.0000  0.2447  1.0
  Pd  Pd5  2  0.5000  0.0000  0.6286  1.0
]