data_[Sm20Ga4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7724]
_cell_length_b [7.7724]
_cell_length_c [15.3723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sm5GaHg2]
_chemical_formula_sum '[Sm20 Ga4 Hg8]'
_cell_volume [928.6524]
_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  16  0.1651  0.3349  0.3438  1.0
  Sm  Sm1  4  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0000  0.0000  0.2500  1.0
  Hg  Hg3  8  0.1319  0.6319  0.5000  1.0
]