data_[Nd4Sn4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7179]
_cell_length_b [7.4558]
_cell_length_c [9.2206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NdSnHg]
_chemical_formula_sum '[Nd4 Sn4 Hg4]'
_cell_volume [324.3460]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.5937  1.0
  Nd  Nd1  2  0.0000  0.5000  0.7026  1.0
  Sn  Sn2  4  0.0000  0.2097  0.9877  1.0
  Hg  Hg3  4  0.0000  0.3010  0.3039  1.0
]