data_[Sm4Dy4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2349]
_cell_length_b [5.1167]
_cell_length_c [9.3397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmDyHg]
_chemical_formula_sum '[Sm4 Dy4 Hg4]'
_cell_volume [345.7448]
_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  0.0153  0.7500  0.3091  1.0
  Dy  Dy1  4  0.1658  0.7500  0.9251  1.0
  Hg  Hg2  4  0.2440  0.7500  0.6029  1.0
]