data_AgMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgMo3
_chemical_formula_sum   'Ag2 Mo6'
_cell_volume   130.91
_cell_formula_units_Z   2
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  0.88  0.66  0.43  1.0
  Ag  Ag1  1  0.0  0.32  0.14  1.0
  Mo  Mo2  1  0.0  0.54  0.43  1.0
  Mo  Mo3  1  0.88  0.44  0.14  1.0
  Mo  Mo4  1  0.54  0.21  0.43  1.0
  Mo  Mo5  1  0.34  0.77  0.14  1.0
  Mo  Mo6  1  0.46  0.21  0.43  1.0
  Mo  Mo7  1  0.41  0.77  0.14  1.0

data_AgMo3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.57
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgMo3
_chemical_formula_sum   'Ag2 Mo6'
_cell_volume   130.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.14  0.44  0.17  1.0
  Mo  Mo1  2  0.14  0.02  0.72  1.0
  Mo  Mo2  2  0.14  0.1  0.72  1.0
  Mo  Mo3  2  0.14  0.56  0.05  1.0

Ag Ag Mo Mo Mo Mo Mo Mo