data_AlCoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   3.35
_cell_angle_alpha   108.71
_cell_angle_beta   108.71
_cell_angle_gamma   103.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoCl2
_chemical_formula_sum   'Al1 Co1 Cl2'
_cell_volume   73.82
_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
  Co  Co3  1  0.19  0.0  0.0  1.0
  Cl  Cl1  1  0.6  0.01  0.0  1.0
  Cl  Cl2  1  0.6  0.99  0.0  1.0

data_AlCoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   103.17
_cell_angle_beta   108.71
_cell_angle_gamma   108.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoCl2
_chemical_formula_sum   'Al1 Co1 Cl2'
_cell_volume   73.82
_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
  Co  Co1  1  0.0  0.19  0.0  1.0
  Cl  Cl2  1  0.0  0.6  0.01  1.0
  Cl  Cl3  1  0.0  0.6  0.99  1.0

Al Co Cl Cl