data_[Hf18Cr18Ga18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1687]
_cell_length_b [5.1687]
_cell_length_c [37.3893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HfCrGa]
_chemical_formula_sum '[Hf18 Cr18 Ga18]'
_cell_volume [865.0466]
_cell_formula_units_Z [18]
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  6  0.0000  0.0000  0.0403  1.0
  Hf  Hf1  6  0.0000  0.0000  0.1786  1.0
  Hf  Hf2  6  0.0000  0.0000  0.2674  1.0
  Cr  Cr3  9  0.0000  0.5000  0.0000  1.0
  Cr  Cr4  6  0.0000  0.0000  0.3837  1.0
  Cr  Cr5  3  -0.0000  -0.0000  0.5000  1.0
  Ga  Ga6  18  0.0015  0.5007  0.7761  1.0
]