data_[Ho2Er6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0969]
_cell_length_b [5.1252]
_cell_length_c [11.0316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho(ErHg2)3]
_chemical_formula_sum '[Ho2 Er6 Hg12]'
_cell_volume [492.7987]
_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
[
  Ho  Ho0  2  0.0614  0.2500  0.3903  1
  Er  Er1  2  0.2308  0.2500  0.0073  1
  Er  Er2  2  0.3532  0.7500  0.7993  1
  Er  Er3  2  0.4816  0.2500  0.6119  1
  Hg  Hg4  2  0.0636  0.7500  0.8985  1
  Hg  Hg5  2  0.1399  0.7500  0.2002  1
  Hg  Hg6  2  0.1633  0.2500  0.6891  1
  Hg  Hg7  2  0.2451  0.7500  0.5113  1
  Hg  Hg8  2  0.3507  0.2500  0.2988  1
  Hg  Hg9  2  0.4636  0.7500  0.0915  1
]