data_[Hf1Zn2Ga5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9476]
_cell_length_b [4.0318]
_cell_length_c [8.8754]
_cell_angle_alpha [86.8118]
_cell_angle_beta [78.7268]
_cell_angle_gamma [89.7830]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfZn2Ga5]
_chemical_formula_sum '[Hf1 Zn2 Ga5]'
_cell_volume [138.3180]
_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  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  2  0.2562  0.2680  0.4914  1.0
  Ga  Ga2  2  0.1195  0.5490  0.7492  1.0
  Ga  Ga3  2  0.3835  0.9512  0.2489  1.0
  Ga  Ga4  1  0.5000  0.5000  0.0000  1.0
]