data_[Sm24Ni4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9044]
_cell_length_b [7.5548]
_cell_length_c [9.9039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm12Ni2Hg5]
_chemical_formula_sum '[Sm24 Ni4 Hg10]'
_cell_volume [1205.6873]
_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
[
  Sm  Sm0  8  0.1515  0.2468  0.5732  1
  Sm  Sm1  8  0.1597  0.2647  0.0788  1
  Sm  Sm2  4  0.0002  0.5000  0.2522  1
  Sm  Sm3  4  0.0034  0.0000  0.1831  1
  Ni  Ni4  4  0.0000  0.3205  0.0000  1
  Hg  Hg5  4  0.1926  0.5000  0.8351  1
  Hg  Hg6  4  0.1953  0.5000  0.3569  1
  Hg  Hg7  2  0.0000  0.0000  0.5000  1
]