data_[Yb3Zn2Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6472]
_cell_length_b [3.6472]
_cell_length_c [10.8908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Yb3Zn2Hg]
_chemical_formula_sum '[Yb3 Zn2 Hg1]'
_cell_volume [144.8708]
_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
[
  Yb  Yb0  2  0.0000  0.0000  0.3260  1.0
  Yb  Yb1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.5000  0.5000  0.1608  1.0
  Hg  Hg3  1  0.5000  0.5000  0.5000  1.0
]