data_Al2CoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   143.82
_cell_angle_beta   143.82
_cell_angle_gamma   52.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CoCl2
_chemical_formula_sum   'Al2 Co1 Cl2'
_cell_volume   97.67
_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  0.16  1.0
  Al  Al1  1  0.0  0.0  0.62  1.0
  Co  Co4  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.04  0.95  1.0
  Cl  Cl3  1  0.04  0.0  0.95  1.0

data_Al2CoCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   116.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2CoCl2
_chemical_formula_sum   'Al4 Co2 Cl4'
_cell_volume   195.35
_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  0.12  0.5  0.62  1.0
  Al  Al1  2  0.16  0.0  0.16  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Cl  Cl3  4  0.43  0.48  0.91  1.0

Al Al Co Cl Cl
Al Al Co Cl Cl 0 2 o o o 1 3 o o o 1 4 o o o 2 3 o o - 2 4 o o - 3 4 o o o 