data_AlZnIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.29
_cell_angle_alpha   106.23
_cell_angle_beta   106.23
_cell_angle_gamma   32.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnIn2
_chemical_formula_sum   'Al1 Zn1 In2'
_cell_volume   87.26
_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  0.12  0.0  0.19  1.0
  Zn  Zn3  1  0.42  0.0  0.62  1.0
  In  In1  1  0.13  0.0  0.2  1.0
  In  In2  1  0.43  0.0  0.58  1.0

data_AlZnIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.29
_cell_length_c   5.69
_cell_angle_alpha   106.23
_cell_angle_beta   106.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnIn2
_chemical_formula_sum   'Al1 Zn1 In2'
_cell_volume   87.26
_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  0.0  0.19  0.12  1.0
  Zn  Zn1  1  0.0  0.62  0.42  1.0
  In  In2  1  0.0  0.2  0.13  1.0
  In  In3  1  0.0  0.58  0.43  1.0

Al Zn In In
Al Zn In In 0 2 o o o 1 3 o o o 