data_Ag3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99
_cell_length_b   9.99
_cell_length_c   9.99
_cell_angle_alpha   16.31
_cell_angle_beta   16.31
_cell_angle_gamma   16.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Mo
_chemical_formula_sum   'Ag3 Mo1'
_cell_volume   68.62
_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
  Ag  Ag0  1  0.0  0.0  0.17  1.0
  Ag  Ag1  1  0.0  0.0  0.79  1.0
  Ag  Ag2  1  0.0  0.0  0.4  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Ag3Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   2.84
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   99.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag3Mo
_chemical_formula_sum   'Ag6 Mo2'
_cell_volume   137.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ag  Ag0  2  -0.0  0.0  0.21  1.0
  Ag  Ag1  2  0.0  0.0  0.83  1.0
  Ag  Ag2  2  0.0  0.0  0.6  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Ag Ag Ag Mo