data_[Hf1Zr3Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3054]
_cell_length_b [3.7980]
_cell_length_c [6.9902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HfZr3Si4]
_chemical_formula_sum '[Hf1 Zr3 Si4]'
_cell_volume [140.8552]
_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
[
  Hf  Hf0  1  0.3751  0.0000  0.1757  1
  Zr  Zr1  1  0.1257  0.0000  0.6761  1
  Zr  Zr2  1  0.6249  0.5000  0.8247  1
  Zr  Zr3  1  0.8743  0.5000  0.3236  1
  Si  Si4  1  0.1395  0.5000  0.9589  1
  Si  Si5  1  0.3614  0.5000  0.4558  1
  Si  Si6  1  0.6377  0.0000  0.5419  1
  Si  Si7  1  0.8614  0.0000  0.0433  1
]