data_[Sm16Ni2Hg4]
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 [18.0633]
_cell_length_b [5.2313]
_cell_length_c [6.9214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8NiHg2]
_chemical_formula_sum '[Sm16 Ni2 Hg4]'
_cell_volume [641.6539]
_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  4  0.0203  0.0000  0.7745  1
  Sm  Sm1  4  0.0887  0.5000  0.4455  1
  Sm  Sm2  4  0.1492  0.5000  0.9679  1
  Sm  Sm3  4  0.2033  0.0000  0.3123  1
  Ni  Ni4  2  0.0000  0.5000  0.0000  1
  Hg  Hg5  4  0.1913  0.0000  0.7450  1
]