data_ZrAlSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   138.29
_cell_angle_beta   138.29
_cell_angle_gamma   60.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlSb2
_chemical_formula_sum   'Zr1 Al1 Sb2'
_cell_volume   90.99
_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
  Zr  Zr3  1  0.0  0.11  0.56  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.11  0.0  0.56  1.0
  Sb  Sb2  1  0.0  0.0  0.12  1.0

data_ZrAlSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.92
_cell_angle_alpha   110.86
_cell_angle_beta   110.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlSb2
_chemical_formula_sum   'Zr1 Al1 Sb2'
_cell_volume   90.99
_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
  Zr  Zr0  1  0.45  0.56  0.45  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.12  0.12  0.12  1.0
  Sb  Sb3  1  0.56  0.45  0.45  1.0

Zr Al Sb Sb