data_[Ho16Te4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8194]
_cell_length_b [5.2804]
_cell_length_c [9.4271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho4TeRu]
_chemical_formula_sum '[Ho16 Te4 Ru4]'
_cell_volume [832.9996]
_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  0.0170  0.0000  0.7413  1
  Ho  Ho1  4  0.1009  0.5000  0.5358  1
  Ho  Ho2  4  0.1993  0.0000  0.4033  1
  Ho  Ho3  4  0.2369  0.0000  0.8035  1
  Te  Te4  4  0.1585  0.0000  0.0548  1
  Ru  Ru5  4  0.0949  0.0000  0.5503  1
]