data_[Ho2Cd6Hg12]
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 [P2_1/m]
_cell_length_a [10.9033]
_cell_length_b [4.9674]
_cell_length_c [11.0732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho(CdHg2)3]
_chemical_formula_sum '[Ho2 Cd6 Hg12]'
_cell_volume [526.3446]
_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  0.3402  0.2500  0.0004  1.0
  Cd  Cd1  2  0.0118  0.7500  0.1892  1.0
  Cd  Cd2  2  0.1516  0.2500  0.6543  1.0
  Cd  Cd3  2  0.4985  0.7500  0.6437  1.0
  Hg  Hg4  2  0.1447  0.7500  0.9835  1.0
  Hg  Hg5  2  0.1552  0.7500  0.4909  1.0
  Hg  Hg6  2  0.1850  0.2500  0.1814  1.0
  Hg  Hg7  2  0.3217  0.7500  0.8129  1.0
  Hg  Hg8  2  0.3230  0.2500  0.4899  1.0
  Hg  Hg9  2  0.4955  0.7500  0.1856  1.0
]