data_[Na4Ho4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6500]
_cell_length_b [14.9047]
_cell_length_c [8.7198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaHoHg4]
_chemical_formula_sum '[Na4 Ho4 Hg16]'
_cell_volume [604.3450]
_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
[
  Na  Na0  4  0.0000  0.1503  0.2500  1.0
  Ho  Ho1  4  0.0000  0.1584  0.7500  1.0
  Hg  Hg2  8  0.0000  0.3235  0.5040  1.0
  Hg  Hg3  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.0000  0.4938  0.2500  1.0
]