data_[Hf4Ga6Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8981]
_cell_length_b [4.1417]
_cell_length_c [6.4758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hf2Ga3Cu]
_chemical_formula_sum '[Hf4 Ga6 Cu2]'
_cell_volume [201.8103]
_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  2  0.0424  0.5000  0.7988  1.0
  Hf  Hf1  2  0.4554  0.0000  0.2079  1.0
  Ga  Ga2  2  0.1592  0.0000  0.2042  1.0
  Ga  Ga3  2  0.3267  0.5000  0.7902  1.0
  Ga  Ga4  2  0.3504  0.5000  0.3852  1.0
  Cu  Cu5  2  0.1660  0.0000  0.6136  1.0
]