data_[Al2Zn2In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2349]
_cell_length_b [4.0782]
_cell_length_c [5.9544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AlZnIn]
_chemical_formula_sum '[Al2 Zn2 In2]'
_cell_volume [125.9415]
_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
[
  Al  Al0  1  0.6684  0.5000  0.1270  1.0
  Al  Al1  1  0.9619  0.0000  0.3617  1.0
  Zn  Zn2  1  0.1784  0.5000  0.1691  1.0
  Zn  Zn3  1  0.4654  0.0000  0.3630  1.0
  In  In4  1  0.2994  0.5000  0.7026  1.0
  In  In5  1  0.8129  0.0000  0.8069  1.0
]