data_[Nd5Hg4Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [3.7780]
_cell_length_b [3.7780]
_cell_length_c [19.1036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Nd5Hg4Pt]
_chemical_formula_sum '[Nd5 Hg4 Pt1]'
_cell_volume [272.6705]
_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  2  0.5000  0.5000  0.0874  1.0
  Nd  Nd1  2  0.5000  0.5000  0.2939  1.0
  Nd  Nd2  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.1948  1.0
  Hg  Hg4  2  0.0000  0.0000  0.3973  1.0
  Pt  Pt5  1  0.0000  0.0000  0.0000  1.0
]