data_AlCr2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   132.26
_cell_angle_beta   132.26
_cell_angle_gamma   69.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Ga
_chemical_formula_sum   'Al1 Cr2 Ga1'
_cell_volume   54.02
_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  0.88  0.0  0.91  1.0
  Cr  Cr2  1  0.0  0.88  0.91  1.0
  Ga  Ga3  1  0.0  0.0  0.81  1.0

data_AlCr2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   124.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCr2Ga
_chemical_formula_sum   'Al2 Cr4 Ga2'
_cell_volume   108.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cr  Cr1  4  0.03  0.06  0.97  1.0
  Ga  Ga2  2  0.19  0.0  0.19  1.0

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