data_[Sm16Sn4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5810]
_cell_length_b [21.7149]
_cell_length_c [6.5144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm4SnHg]
_chemical_formula_sum '[Sm16 Sn4 Hg4]'
_cell_volume [789.4831]
_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  8  0.0000  0.2922  0.5055  1
  Sm  Sm1  4  0.0000  0.1234  0.7500  1
  Sm  Sm2  4  0.0000  0.4384  0.7500  1
  Sn  Sn3  4  0.0000  0.1558  0.2500  1
  Hg  Hg4  4  0.0000  0.4235  0.2500  1
]