data_AlSiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   133.42
_cell_angle_beta   133.42
_cell_angle_gamma   68.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiMo2
_chemical_formula_sum   'Al1 Si1 Mo2'
_cell_volume   59.2
_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
  Si  Si3  1  0.0  0.92  0.01  1.0
  Mo  Mo1  1  0.92  0.0  0.01  1.0
  Mo  Mo2  1  0.0  0.0  0.02  1.0

data_AlSiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   4.85
_cell_angle_alpha   113.29
_cell_angle_beta   113.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiMo2
_chemical_formula_sum   'Al1 Si1 Mo2'
_cell_volume   59.2
_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
  Si  Si1  1  0.91  0.92  0.91  1.0
  Mo  Mo2  1  0.98  0.0  0.98  1.0
  Mo  Mo3  1  0.99  0.0  0.91  1.0

Al Si Mo Mo