data_[Hf2In2Cu1Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3188]
_cell_length_b [4.3188]
_cell_length_c [7.9895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Hf2In2CuNi3]
_chemical_formula_sum '[Hf2 In2 Cu1 Ni3]'
_cell_volume [129.0561]
_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  0.7453  1
  Hf  Hf1  1  0.6667  0.3333  0.2578  1
  In  In2  1  0.3333  0.6667  0.5011  1
  In  In3  1  0.3333  0.6667  0.9902  1
  Cu  Cu4  1  0.0000  0.0000  0.0947  1
  Ni  Ni5  1  0.0000  0.0000  0.4055  1
  Ni  Ni6  1  0.6667  0.3333  0.5934  1
  Ni  Ni7  1  0.6667  0.3333  0.9119  1
]