data_[Nd8Sn8Hg4]
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 [C2/m]
_cell_length_a [11.8734]
_cell_length_b [4.8301]
_cell_length_c [11.1290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Sn2Hg]
_chemical_formula_sum '[Nd8 Sn8 Hg4]'
_cell_volume [573.0743]
_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  4  0.0702  0.0000  0.3587  1.0
  Nd  Nd1  4  0.1728  0.0000  0.0618  1.0
  Sn  Sn2  4  0.0023  0.5000  0.8663  1.0
  Sn  Sn3  4  0.1359  0.5000  0.5759  1.0
  Hg  Hg4  4  0.2188  0.0000  0.7433  1.0
]