data_[Y2Er6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1104]
_cell_length_b [5.1327]
_cell_length_c [11.0483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y(ErHg2)3]
_chemical_formula_sum '[Y2 Er6 Hg12]'
_cell_volume [494.9717]
_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
[
  Y  Y0  2  0.0623  0.2500  0.3894  1
  Er  Er1  2  0.2309  0.2500  0.0067  1
  Er  Er2  2  0.3532  0.7500  0.8006  1
  Er  Er3  2  0.4822  0.2500  0.6118  1
  Hg  Hg4  2  0.0639  0.7500  0.9007  1
  Hg  Hg5  2  0.1397  0.7500  0.2018  1
  Hg  Hg6  2  0.1657  0.2500  0.6902  1
  Hg  Hg7  2  0.2475  0.7500  0.5133  1
  Hg  Hg8  2  0.3526  0.2500  0.2975  1
  Hg  Hg9  2  0.4632  0.7500  0.0921  1
]