data_[Sm16Ho4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.3675]
_cell_length_b [5.4027]
_cell_length_c [12.1883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sm4HoHg2]
_chemical_formula_sum '[Sm16 Ho4 Hg8]'
_cell_volume [844.8138]
_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  2  0.0349  0.5000  0.3831  1
  Sm  Sm1  2  0.0935  0.0000  0.8244  1
  Sm  Sm2  2  0.1564  0.5000  0.2372  1
  Sm  Sm3  2  0.2463  0.5000  0.7705  1
  Sm  Sm4  2  0.2565  0.0000  0.4735  1
  Sm  Sm5  2  0.4079  0.5000  0.4223  1
  Sm  Sm6  2  0.4485  0.0000  0.8626  1
  Sm  Sm7  2  0.4974  0.5000  0.1361  1
  Ho  Ho8  2  0.2514  0.5000  0.0469  1
  Ho  Ho9  2  0.2544  0.0000  0.1957  1
  Hg  Hg10  2  0.0058  0.5000  0.6316  1
  Hg  Hg11  2  0.1493  0.0000  0.6095  1
  Hg  Hg12  2  0.3492  0.5000  0.6321  1
  Hg  Hg13  2  0.3509  0.0000  0.0246  1
]