data_[Ho8Hg4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6561]
_cell_length_b [3.6169]
_cell_length_c [10.1182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2HgO4]
_chemical_formula_sum '[Ho8 Hg4 O16]'
_cell_volume [420.8250]
_cell_formula_units_Z [4]
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  4  0.1189  0.0000  0.4629  1.0
  Ho  Ho1  4  0.1589  0.5000  0.8001  1.0
  Hg  Hg2  4  0.1137  0.5000  0.1619  1.0
  O  O3  4  0.0346  0.5000  0.2833  1.0
  O  O4  4  0.0822  0.0000  0.6526  1.0
  O  O5  4  0.2035  0.5000  0.0543  1.0
  O  O6  4  0.2318  0.5000  0.6117  1.0
]