data_[Sr2Nd6Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.3375]
_cell_length_b [9.6022]
_cell_length_c [7.5543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SrNd3Hg2]
_chemical_formula_sum '[Sr2 Nd6 Hg4]'
_cell_volume [387.1766]
_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
[
  Sr  Sr0  2  0.5000  0.4394  0.5120  1
  Nd  Nd1  2  0.0000  0.0616  0.4890  1
  Nd  Nd2  2  0.0000  0.3247  0.8384  1
  Nd  Nd3  2  0.5000  0.1653  0.1620  1
  Hg  Hg4  2  0.0000  0.3465  0.2495  1
  Hg  Hg5  2  0.5000  0.1504  0.7492  1
]