data_[Ho6Cd2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5887]
_cell_length_b [4.8433]
_cell_length_c [20.4661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ho3CdHg3]
_chemical_formula_sum '[Ho6 Cd2 Hg6]'
_cell_volume [355.7263]
_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  0.9961  1
  Ho  Ho1  2  0.0000  0.5000  0.1987  1
  Ho  Ho2  2  0.0000  0.5000  0.8038  1
  Cd  Cd3  2  0.0000  0.0000  0.5694  1
  Hg  Hg4  2  0.0000  0.0000  0.4332  1
  Hg  Hg5  2  0.0000  0.5000  0.3491  1
  Hg  Hg6  2  0.0000  0.5000  0.6497  1
]