data_[Ho2Er2Hg8]
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 [Amm2]
_cell_length_a [5.2426]
_cell_length_b [3.8671]
_cell_length_c [14.6790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HoErHg4]
_chemical_formula_sum '[Ho2 Er2 Hg8]'
_cell_volume [297.5931]
_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  0.0000  0.0000  0.3546  1.0
  Er  Er1  2  0.5000  0.0000  0.1473  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0212  1.0
  Hg  Hg3  2  0.0000  0.0000  0.6866  1.0
  Hg  Hg4  2  0.5000  0.0000  0.4813  1.0
  Hg  Hg5  2  0.5000  0.0000  0.8149  1.0
]