data_[Nd2Er6Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.0814]
_cell_length_b [9.2559]
_cell_length_c [7.1568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NdEr3Hg2]
_chemical_formula_sum '[Nd2 Er6 Hg4]'
_cell_volume [336.6084]
_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
[
  Nd  Nd0  2  0.5000  0.4427  0.5160  1
  Er  Er1  2  0.0000  0.0577  0.4838  1
  Er  Er2  2  0.0000  0.3192  0.8340  1
  Er  Er3  2  0.5000  0.1711  0.1666  1
  Hg  Hg4  2  0.0000  0.3498  0.2563  1
  Hg  Hg5  2  0.5000  0.1446  0.7433  1
]