data_AlCrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   142.27
_cell_angle_beta   142.27
_cell_angle_gamma   54.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrCl2
_chemical_formula_sum   'Al1 Cr1 Cl2'
_cell_volume   84.47
_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  Cr3  1  0.0  0.97  0.71  1.0
  Cl  Cl1  1  0.97  0.0  0.71  1.0
  Cl  Cl2  1  0.0  0.0  0.43  1.0

data_AlCrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   6.1
_cell_angle_alpha   108.87
_cell_angle_beta   108.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrCl2
_chemical_formula_sum   'Al1 Cr1 Cl2'
_cell_volume   84.47
_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  0.26  0.97  0.26  1.0
  Cl  Cl2  1  0.29  0.0  0.26  1.0
  Cl  Cl3  1  0.57  0.0  0.57  1.0

Al Cr Cl Cl