data_[Nd2Zn6Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0078]
_cell_length_b [5.5545]
_cell_length_c [6.1471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdZn3Hg]
_chemical_formula_sum '[Nd2 Zn6 Hg2]'
_cell_volume [204.9944]
_cell_formula_units_Z [2]
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  0.3410  0.7500  0.3239  1.0
  Zn  Zn1  4  0.1611  0.5004  0.8633  1.0
  Zn  Zn2  2  0.4602  0.2500  0.1332  1.0
  Hg  Hg3  2  0.1405  0.2500  0.4569  1.0
]