data_[Sm4Zn4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1165]
_cell_length_b [4.6912]
_cell_length_c [11.0722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmZnHg3]
_chemical_formula_sum '[Sm4 Zn4 Hg12]'
_cell_volume [473.5216]
_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  0.2165  0.2500  0.9962  1.0
  Zn  Zn1  4  0.1169  0.2500  0.6546  1.0
  Hg  Hg2  4  0.0575  0.2500  0.4058  1.0
  Hg  Hg3  4  0.0875  0.7500  0.1617  1.0
  Hg  Hg4  4  0.1364  0.7500  0.8123  1.0
]