data_[Hg4Pd7Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0612]
_cell_length_b [5.6982]
_cell_length_c [7.3720]
_cell_angle_alpha [92.9691]
_cell_angle_beta [103.2864]
_cell_angle_gamma [90.1226]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg4Pd7Pt]
_chemical_formula_sum '[Hg4 Pd7 Pt1]'
_cell_volume [206.6180]
_cell_formula_units_Z [1]
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
[
  Hg  Hg0  2  0.2209  0.4952  0.6826  1
  Hg  Hg1  2  0.2946  0.7895  0.3290  1
  Pd  Pd2  2  0.2054  0.9886  0.6732  1
  Pd  Pd3  2  0.2841  0.2793  0.3332  1
  Pd  Pd4  2  0.4935  0.2422  0.0012  1
  Pd  Pd5  1  0.0000  0.5000  0.0000  1
  Pt  Pt6  1  0.0000  0.0000  0.0000  1
]