data_AlCr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Cl
_chemical_formula_sum   'Al1 Cr2 Cl1'
_cell_volume   58.9
_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  0.05  1.0
  Cr  Cr2  1  0.0  0.0  0.75  1.0
  Cr  Cr3  1  0.48  0.0  0.14  1.0
  Cl  Cl1  1  0.48  0.0  0.94  1.0

data_AlCr2Cl
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   2.9
_cell_length_b   5.1
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   AlCr2Cl
_chemical_formula_sum   'Al2 Cr4 Cl2'
_cell_volume   117.84
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.05  1.0
  Cr  Cr1  2  0.0  0.0  0.75  1.0
  Cr  Cr2  2  0.0  0.5  0.14  1.0
  Cl  Cl3  2  0.0  0.5  0.94  1.0

Al Cr Cr Cl