data_AlCrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.31
_cell_angle_alpha   129.63
_cell_angle_beta   127.29
_cell_angle_gamma   75.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrNi2
_chemical_formula_sum   'Al1 Cr1 Ni2'
_cell_volume   47.57
_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
  Cr  Cr1  1  0.0  0.0  0.4  1.0
  Ni  Ni2  1  0.83  0.0  0.69  1.0
  Ni  Ni3  1  0.0  0.91  0.71  1.0

data_AlCrNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.82
_cell_length_c   4.31
_cell_angle_alpha   116.35
_cell_angle_beta   115.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrNi2
_chemical_formula_sum   'Al1 Cr1 Ni2'
_cell_volume   47.57
_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
  Cr  Cr1  1  0.6  0.6  0.6  1.0
  Ni  Ni2  1  0.14  0.31  0.14  1.0
  Ni  Ni3  1  0.29  0.21  0.21  1.0

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