data_[Nd3Si1Hg2Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8200]
_cell_length_b [7.8200]
_cell_length_c [3.6950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Nd3SiHg2Rh3]
_chemical_formula_sum '[Nd3 Si1 Hg2 Rh3]'
_cell_volume [195.6886]
_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  0.0000  0.6238  0.0000  1
  Si  Si1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  2  0.3333  0.6667  0.5000  1
  Rh  Rh3  3  0.0000  0.2147  0.5000  1
]