data_[Sm12Ni4Hg4]
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 [P2_1/c]
_cell_length_a [10.1069]
_cell_length_b [6.8425]
_cell_length_c [8.6557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm3NiHg]
_chemical_formula_sum '[Sm12 Ni4 Hg4]'
_cell_volume [550.3701]
_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
[
  Sm  Sm0  4  0.1509  0.1747  0.0174  1
  Sm  Sm1  4  0.1521  0.6634  0.8755  1
  Sm  Sm2  4  0.4109  0.5672  0.2805  1
  Ni  Ni3  4  0.0933  0.5363  0.1556  1
  Hg  Hg4  4  0.3922  0.1506  0.4116  1
]