data_[Ni2Hg1Pt9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9351]
_cell_length_b [3.9351]
_cell_length_c [11.9361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ni2HgPt9]
_chemical_formula_sum '[Ni2 Hg1 Pt9]'
_cell_volume [184.8314]
_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
[
  Ni  Ni0  2  0.0000  0.0000  0.3406  1
  Hg  Hg1  1  0.0000  0.0000  0.0000  1
  Pt  Pt2  4  0.0000  0.5000  0.1810  1
  Pt  Pt3  2  0.0000  0.5000  0.5000  1
  Pt  Pt4  2  0.5000  0.5000  0.3401  1
  Pt  Pt5  1  0.5000  0.5000  0.0000  1
]