data_[Hf2Cu2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3812]
_cell_length_b [3.6966]
_cell_length_c [7.5106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfCuSb]
_chemical_formula_sum '[Hf2 Cu2 Sb2]'
_cell_volume [121.0721]
_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  0.2309  0.7500  0.7554  1
  Cu  Cu1  2  0.2407  0.2500  0.0271  1
  Sb  Sb2  2  0.2872  0.7500  0.3502  1
]