data_[Y12Ni2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1888]
_cell_length_b [7.4374]
_cell_length_c [15.5070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y6NiHg5]
_chemical_formula_sum '[Y12 Ni2 Hg10]'
_cell_volume [598.4406]
_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  8  0.0000  0.2389  0.8411  1
  Y  Y1  4  0.0000  0.2690  0.5000  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0000  0.0000  0.3339  1
  Hg  Hg4  4  0.0000  0.5000  0.3238  1
  Hg  Hg5  2  0.0000  0.5000  0.0000  1
]