data_[Nd4Zn2Hg5]
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/m]
_cell_length_a [8.0111]
_cell_length_b [3.8136]
_cell_length_c [9.5821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4Zn2Hg5]
_chemical_formula_sum '[Nd4 Zn2 Hg5]'
_cell_volume [292.3304]
_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  0.2022  0.5000  0.1412  1.0
  Nd  Nd1  2  0.2560  0.5000  0.6060  1.0
  Zn  Zn2  2  0.0613  0.0000  0.3808  1.0
  Hg  Hg3  2  0.1357  0.0000  0.8681  1.0
  Hg  Hg4  2  0.4119  0.0000  0.3530  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]