data_AlZn2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   148.54
_cell_angle_beta   132.0
_cell_angle_gamma   58.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn2Cr
_chemical_formula_sum   'Al1 Zn2 Cr1'
_cell_volume   56.09
_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  0.0  0.0  1.0
  Zn  Zn2  1  0.43  0.0  0.41  1.0
  Zn  Zn3  1  0.0  0.14  0.18  1.0
  Cr  Cr1  1  0.0  0.0  0.59  1.0

data_AlZn2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.28
_cell_length_c   5.26
_cell_angle_alpha   114.0
_cell_angle_beta   105.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn2Cr
_chemical_formula_sum   'Al1 Zn2 Cr1'
_cell_volume   56.09
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.02  0.59  0.02  1.0
  Zn  Zn2  1  0.82  0.96  0.96  1.0
  Cr  Cr3  1  0.41  0.41  0.41  1.0

Al Zn Zn Cr
Al Zn Zn Cr 0 2 o o o 0 1 o o o 0 3 o o - 1 2 o o o 1 3 + o o 2 3 o o o 2 3 o o - 3 3 o + + 