data_AlSnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   142.05
_cell_angle_beta   129.55
_cell_angle_gamma   64.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnMo2
_chemical_formula_sum   'Al1 Sn1 Mo2'
_cell_volume   68.08
_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  0.78  1.0
  Sn  Sn3  1  0.71  0.0  0.39  1.0
  Mo  Mo1  1  0.71  0.0  0.06  1.0
  Mo  Mo2  1  0.0  0.0  0.09  1.0

data_AlSnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.48
_cell_length_c   5.26
_cell_angle_alpha   115.23
_cell_angle_beta   108.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnMo2
_chemical_formula_sum   'Al1 Sn1 Mo2'
_cell_volume   68.08
_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  0.22  0.22  0.22  1.0
  Sn  Sn1  1  0.32  0.61  0.32  1.0
  Mo  Mo2  1  0.65  0.94  0.65  1.0
  Mo  Mo3  1  0.91  0.91  0.91  1.0

Al Sn Mo Mo