data_[Al1Ni1Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2065]
_cell_length_b [3.4005]
_cell_length_c [7.8389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AlNiSb2]
_chemical_formula_sum '[Al1 Ni1 Sb2]'
_cell_volume [85.4729]
_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
[
  Al  Al0  1  0.0000  0.0000  0.5585  1
  Ni  Ni1  1  0.5000  0.5000  0.6941  1
  Sb  Sb2  1  0.0000  0.0000  0.9082  1
  Sb  Sb3  1  0.5000  0.5000  0.3392  1
]