data_[Ho3Hf1Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5609]
_cell_length_b [3.7839]
_cell_length_c [7.6391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ho3HfSi4]
_chemical_formula_sum '[Ho3 Hf1 Si4]'
_cell_volume [160.7244]
_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  0.1200  0.5000  0.6807  1
  Ho  Ho1  1  0.3839  0.5000  0.1765  1
  Ho  Ho2  1  0.8794  0.0000  0.3204  1
  Hf  Hf3  1  0.6169  0.0000  0.8190  1
  Si  Si4  1  0.1322  0.0000  0.9571  1
  Si  Si5  1  0.3726  0.0000  0.4667  1
  Si  Si6  1  0.6348  0.5000  0.5504  1
  Si  Si7  1  0.8602  0.5000  0.0292  1
]