data_[Sr2Nd6Hg12]
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 [P2_1/m]
_cell_length_a [9.5792]
_cell_length_b [5.3040]
_cell_length_c [11.6126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr(NdHg2)3]
_chemical_formula_sum '[Sr2 Nd6 Hg12]'
_cell_volume [564.3124]
_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  0.0606  0.2500  0.3924  1
  Nd  Nd1  2  0.2227  0.2500  0.0130  1
  Nd  Nd2  2  0.3576  0.7500  0.8008  1
  Nd  Nd3  2  0.4908  0.2500  0.6199  1
  Hg  Hg4  2  0.0666  0.7500  0.8973  1
  Hg  Hg5  2  0.1446  0.7500  0.1954  1
  Hg  Hg6  2  0.1751  0.2500  0.7051  1
  Hg  Hg7  2  0.2630  0.7500  0.5156  1
  Hg  Hg8  2  0.3461  0.2500  0.2989  1
  Hg  Hg9  2  0.4617  0.7500  0.0856  1
]