data_[Nd2Ho2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0360]
_cell_length_b [6.7686]
_cell_length_c [11.5768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NdHoHg6]
_chemical_formula_sum '[Nd2 Ho2 Hg12]'
_cell_volume [394.6139]
_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  0.0000  0.4117  1
  Ho  Ho1  2  0.0000  0.0000  0.0884  1
  Hg  Hg2  4  0.0000  0.2390  0.8326  1
  Hg  Hg3  4  0.5000  0.2470  0.6645  1
  Hg  Hg4  2  0.0000  0.0000  0.5846  1
  Hg  Hg5  2  0.5000  0.0000  0.9208  1
]