data_AgGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.27
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGeMo2
_chemical_formula_sum   'Ag1 Ge1 Mo2'
_cell_volume   65.8
_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  0.37  0.13  0.83  1.0
  Ge  Ge1  1  0.0  0.0  0.21  1.0
  Mo  Mo2  1  0.37  0.13  0.06  1.0
  Mo  Mo3  1  0.0  0.0  0.34  1.0

data_AgGeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.27
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGeMo2
_chemical_formula_sum   'Ag1 Ge1 Mo2'
_cell_volume   65.8
_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  0.37  0.13  0.83  1.0
  Ge  Ge1  1  0.0  0.0  0.21  1.0
  Mo  Mo2  1  0.0  0.0  0.34  1.0
  Mo  Mo3  1  0.37  0.13  0.06  1.0

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