data_AlMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   147.39
_cell_angle_beta   128.44
_cell_angle_gamma   62.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMoCl2
_chemical_formula_sum   'Al1 Mo1 Cl2'
_cell_volume   65.37
_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  0.83  1.0
  Mo  Mo3  1  0.0  0.34  0.01  1.0
  Cl  Cl1  1  0.0  0.34  0.48  1.0
  Cl  Cl2  1  0.0  0.0  0.51  1.0

data_AlMoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.69
_cell_length_c   5.39
_cell_angle_alpha   115.78
_cell_angle_beta   106.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMoCl2
_chemical_formula_sum   'Al1 Mo1 Cl2'
_cell_volume   65.37
_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  0.17  0.17  0.17  1.0
  Mo  Mo1  1  0.99  0.33  0.33  1.0
  Cl  Cl2  1  0.49  0.49  0.49  1.0
  Cl  Cl3  1  0.52  0.87  0.87  1.0

Al Mo Cl Cl