data_[Mg4Be4Hg2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [P4/mbm]
_cell_length_a [9.5687]
_cell_length_b [9.5687]
_cell_length_c [3.3561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mg2Be2HgPd5]
_chemical_formula_sum '[Mg4 Be4 Hg2 Pd10]'
_cell_volume [307.2774]
_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
[
  Mg  Mg0  4  0.1744  0.6744  0.0000  1.0
  Be  Be1  4  0.1230  0.3770  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0741  0.2189  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.5000  1.0
]