data_Al2AgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.29
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   34.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgMo
_chemical_formula_sum   'Al2 Ag1 Mo1'
_cell_volume   64.66
_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  Al1  1  0.48  0.0  0.21  1.0
  Al  Al2  1  0.53  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.61  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Al2AgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.67
_cell_length_c   5.29
_cell_angle_alpha   99.44
_cell_angle_beta   90.0
_cell_angle_gamma   107.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgMo
_chemical_formula_sum   'Al2 Ag1 Mo1'
_cell_volume   64.66
_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  0.47  1.0  1.0
  Al  Al1  1  0.0  0.52  0.79  1.0
  Ag  Ag2  1  0.0  1.0  0.39  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Al Al Ag Mo
Al Al Ag Mo 0 1 o o o 0 3 o o o 1 3 + o o 1 3 o o o 2 3 o o + 