data_[Sr4Nd12Hg8]
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 [C2/m]
_cell_length_a [17.2874]
_cell_length_b [5.4971]
_cell_length_c [9.4189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNd3Hg2]
_chemical_formula_sum '[Sr4 Nd12 Hg8]'
_cell_volume [788.4120]
_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
[
  Sr  Sr0  4  0.1306  0.0000  0.1956  1.0
  Nd  Nd1  4  0.0680  0.0000  0.7141  1.0
  Nd  Nd2  4  0.1174  0.5000  0.5224  1.0
  Nd  Nd3  4  0.1948  0.5000  0.9990  1.0
  Hg  Hg4  4  0.0040  0.5000  0.1596  1.0
  Hg  Hg5  4  0.2282  0.0000  0.6115  1.0
]