data_Ag3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   131.29
_cell_angle_beta   131.29
_cell_angle_gamma   71.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Mo
_chemical_formula_sum   'Ag3 Mo1'
_cell_volume   70.74
_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  0.08  0.0  0.05  1.0
  Ag  Ag1  1  0.0  0.08  0.05  1.0
  Ag  Ag2  1  0.0  0.0  0.09  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   5.88
_cell_length_b   5.88
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   125.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag3Mo
_chemical_formula_sum   'Ag6 Mo2'
_cell_volume   141.48
_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  4  0.46  0.46  0.97  1.0
  Ag  Ag1  2  0.0  0.0  0.09  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

Ag Ag Ag Mo