data_[Hg2P2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7452]
_cell_length_b [3.5131]
_cell_length_c [4.9467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgPPt2]
_chemical_formula_sum '[Hg2 P2 Pt4]'
_cell_volume [168.9237]
_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
[
  Hg  Hg0  2  0.4760  0.0000  0.5097  1
  P  P1  2  0.1686  0.5000  0.9085  1
  Pt  Pt2  2  0.0373  0.0000  0.0698  1
  Pt  Pt3  2  0.3181  0.0000  0.0121  1
]