data_[Ho1In4Hg7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1990]
_cell_length_b [5.1990]
_cell_length_c [13.1772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [HoIn4Hg7]
_chemical_formula_sum '[Ho1 In4 Hg7]'
_cell_volume [308.4540]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  In  In1  2  0.3333  0.6667  0.0892  1.0
  In  In2  2  0.3333  0.6667  0.3507  1.0
  Hg  Hg3  2  0.0000  0.0000  0.2564  1.0
  Hg  Hg4  2  0.3333  0.6667  0.5907  1.0
  Hg  Hg5  2  0.3333  0.6667  0.8398  1.0
  Hg  Hg6  1  0.0000  0.0000  0.0000  1.0
]