data_[Sm4Ho6Hg6]
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 [Immm]
_cell_length_a [3.7066]
_cell_length_b [5.3173]
_cell_length_c [22.4485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm2(HoHg)3]
_chemical_formula_sum '[Sm4 Ho6 Hg6]'
_cell_volume [442.4364]
_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  0.0000  0.5000  0.2696  1.0
  Ho  Ho1  4  0.0000  0.0000  0.3806  1.0
  Ho  Ho2  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.1152  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
]