data_[Nd3Mg1Ag1Hg3Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [8.1568]
_cell_length_b [8.1568]
_cell_length_c [3.8930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Nd3MgAgHg3Pt]
_chemical_formula_sum '[Nd3 Mg1 Ag1 Hg3 Pt1]'
_cell_volume [224.3119]
_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
[
  Nd  Nd0  3  0.4141  0.0374  0.0000  1
  Mg  Mg1  1  0.3333  0.6667  0.5000  1
  Ag  Ag2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  3  0.0239  0.7368  0.5000  1
  Pt  Pt4  1  0.6667  0.3333  0.5000  1
]