data_[Sm4Hg2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6368]
_cell_length_b [7.6368]
_cell_length_c [3.8332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sm2HgRh2]
_chemical_formula_sum '[Sm4 Hg2 Rh4]'
_cell_volume [223.5511]
_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  0.1667  0.3333  0.5000  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  4  0.1344  0.6344  0.0000  1.0
]