data_Al2CrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   134.13
_cell_angle_beta   134.13
_cell_angle_gamma   66.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrIn
_chemical_formula_sum   'Al2 Cr1 In1'
_cell_volume   66.23
_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
  Al  Al1  1  0.98  0.0  0.12  1.0
  Cr  Cr2  1  0.0  0.0  0.23  1.0
  In  In3  1  0.0  0.98  0.12  1.0

data_Al2CrIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.07
_cell_angle_alpha   112.94
_cell_angle_beta   112.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrIn
_chemical_formula_sum   'Al2 Cr1 In1'
_cell_volume   66.23
_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
  Al  Al1  1  0.88  0.0  0.86  1.0
  Cr  Cr2  1  0.77  0.0  0.77  1.0
  In  In3  1  0.86  0.98  0.86  1.0

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