data_[Sm4Zn2Hg5]
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 [P2/m]
_cell_length_a [7.9001]
_cell_length_b [3.7802]
_cell_length_c [9.4992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4Zn2Hg5]
_chemical_formula_sum '[Sm4 Zn2 Hg5]'
_cell_volume [283.5330]
_cell_formula_units_Z [1]
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  0.1989  0.5000  0.1395  1.0
  Sm  Sm1  2  0.2541  0.5000  0.5985  1.0
  Zn  Zn2  2  0.0612  0.0000  0.3788  1.0
  Hg  Hg3  2  0.1396  0.0000  0.8657  1.0
  Hg  Hg4  2  0.4164  0.0000  0.3468  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]