data_[Er16Ni8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.3242]
_cell_length_b [14.6088]
_cell_length_c [6.7281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.8237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Er4Ni2Hg]
_chemical_formula_sum '[Er16 Ni8 Hg4]'
_cell_volume [646.2857]
_cell_formula_units_Z [4]
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
[
  Er  Er0  4  0.0811  0.3239  0.2625  1.0
  Er  Er1  4  0.2662  0.7553  0.4328  1.0
  Er  Er2  4  0.3142  0.0393  0.2275  1.0
  Er  Er3  4  0.3374  0.4708  0.0921  1.0
  Ni  Ni4  4  0.0700  0.4101  0.6208  1.0
  Ni  Ni5  4  0.4740  0.3330  0.4407  1.0
  Hg  Hg6  4  0.0836  0.1324  0.4239  1.0
]