data_[Sm4Er1Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6756]
_cell_length_b [3.6756]
_cell_length_c [19.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm4ErHg5]
_chemical_formula_sum '[Sm4 Er1 Hg5]'
_cell_volume [266.8754]
_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  0.0000  0.0000  0.1973  1.0
  Sm  Sm1  2  0.0000  0.0000  0.3995  1.0
  Er  Er2  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.5000  0.5000  0.0922  1.0
  Hg  Hg4  2  0.5000  0.5000  0.2990  1.0
  Hg  Hg5  1  0.5000  0.5000  0.5000  1.0
]