data_[Nd20Sm4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7885]
_cell_length_b [9.5970]
_cell_length_c [11.8627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd5SmHg]
_chemical_formula_sum '[Nd20 Sm4 Hg4]'
_cell_volume [940.1029]
_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  8  0.1104  0.3276  0.0399  1
  Nd  Nd1  8  0.2069  0.1813  0.3561  1
  Nd  Nd2  4  0.0000  0.1289  0.7500  1
  Sm  Sm3  4  0.0000  0.4923  0.7500  1
  Hg  Hg4  4  0.0000  0.0000  0.0000  1
]