data_[Ho6Ga8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3194]
_cell_length_b [4.3194]
_cell_length_c [22.1098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ho3(Ga2Cu)2]
_chemical_formula_sum '[Ho6 Ga8 Cu4]'
_cell_volume [357.2457]
_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
[
  Ho  Ho0  1  0.3333  0.6667  0.0774  1.0
  Ho  Ho1  1  0.3333  0.6667  0.2566  1.0
  Ho  Ho2  1  0.3333  0.6667  0.4113  1.0
  Ho  Ho3  1  0.3333  0.6667  0.5871  1.0
  Ho  Ho4  1  0.3333  0.6667  0.7421  1.0
  Ho  Ho5  1  0.3333  0.6667  0.9210  1.0
  Ga  Ga6  1  0.0000  0.0000  0.1547  1.0
  Ga  Ga7  1  0.0000  0.0000  0.4855  1.0
  Ga  Ga8  1  0.0000  0.0000  0.8154  1.0
  Ga  Ga9  1  0.6667  0.3333  0.1832  1.0
  Ga  Ga10  1  0.6667  0.3333  0.3296  1.0
  Ga  Ga11  1  0.6667  0.3333  0.5137  1.0
  Ga  Ga12  1  0.6667  0.3333  0.6596  1.0
  Ga  Ga13  1  0.6667  0.3333  0.8451  1.0
  Cu  Cu14  1  0.0000  0.0000  0.0046  1.0
  Cu  Cu15  1  0.0000  0.0000  0.3446  1.0
  Cu  Cu16  1  0.0000  0.0000  0.6738  1.0
  Cu  Cu17  1  0.6667  0.3333  0.9944  1.0
]