data_[Nd12Er4Hg4]
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 [C2/m]
_cell_length_a [19.6715]
_cell_length_b [3.7556]
_cell_length_c [8.7431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3ErHg]
_chemical_formula_sum '[Nd12 Er4 Hg4]'
_cell_volume [627.9736]
_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
[
  Nd  Nd0  4  0.0042  0.0000  0.2896  1
  Nd  Nd1  4  0.0972  0.5000  0.0357  1
  Nd  Nd2  4  0.1863  0.0000  0.3784  1
  Er  Er3  4  0.2051  0.0000  0.8309  1
  Hg  Hg4  4  0.1083  0.5000  0.5903  1
]