data_SiAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   2.73
_cell_angle_alpha   96.01
_cell_angle_beta   96.01
_cell_angle_gamma   115.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgMo2
_chemical_formula_sum   'Si1 Ag1 Mo2'
_cell_volume   61.83
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.7  0.0  0.0  1.0
  Mo  Mo1  1  0.08  0.86  0.34  1.0
  Mo  Mo2  1  0.08  0.14  0.34  1.0

data_SiAgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   115.47
_cell_angle_beta   96.01
_cell_angle_gamma   96.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgMo2
_chemical_formula_sum   'Si1 Ag1 Mo2'
_cell_volume   61.83
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  -0.0  0.7  0.0  1.0
  Mo  Mo2  1  0.34  0.08  0.86  1.0
  Mo  Mo3  1  0.34  0.08  0.14  1.0

Si Ag Mo Mo
Si Ag Mo Mo 0 3 o o o 0 1 - o o 0 2 o - o 2 3 o + o 