data_[Hf4Zr4Ga14]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8099]
_cell_length_b [9.3405]
_cell_length_c [4.3309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Zr2Ga7]
_chemical_formula_sum '[Hf4 Zr4 Ga14]'
_cell_volume [419.7790]
_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
[
  Hf  Hf0  4  0.2478  0.5000  0.7719  1
  Zr  Zr1  4  0.0000  0.1913  0.5000  1
  Ga  Ga2  8  0.1973  0.2977  0.2095  1
  Ga  Ga3  4  0.0417  0.5000  0.2739  1
  Ga  Ga4  2  0.0000  0.0000  0.0000  1
]