data_[Ho8Hg2Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9187]
_cell_length_b [6.9598]
_cell_length_c [7.7883]
_cell_angle_alpha [63.6145]
_cell_angle_beta [89.7849]
_cell_angle_gamma [89.4171]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ho4HgRu2]
_chemical_formula_sum '[Ho8 Hg2 Ru4]'
_cell_volume [335.9413]
_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  1  0.1149  0.7821  0.8424  1.0
  Ho  Ho1  1  0.1231  0.2846  0.8490  1.0
  Ho  Ho2  1  0.1470  0.5149  0.3720  1.0
  Ho  Ho3  1  0.1643  0.0152  0.3627  1.0
  Ho  Ho4  1  0.5906  0.7581  0.8856  1.0
  Ho  Ho5  1  0.5987  0.2690  0.8808  1.0
  Ho  Ho6  1  0.6248  0.5111  0.4004  1.0
  Ho  Ho7  1  0.6413  0.0075  0.4104  1.0
  Hg  Hg8  1  0.8729  0.8911  0.1300  1.0
  Hg  Hg9  1  0.8777  0.3931  0.1239  1.0
  Ru  Ru10  1  0.3704  0.3971  0.1171  1.0
  Ru  Ru11  1  0.3744  0.1453  0.6193  1.0
  Ru  Ru12  1  0.3765  0.6420  0.6271  1.0
  Ru  Ru13  1  0.8735  0.6387  0.6293  1.0
]