data_AgGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.4
_cell_length_b   9.4
_cell_length_c   9.4
_cell_angle_alpha   17.45
_cell_angle_beta   17.45
_cell_angle_gamma   17.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGeMo2
_chemical_formula_sum   'Ag1 Ge1 Mo2'
_cell_volume   65.15
_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  0.88  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.07  1.0
  Mo  Mo3  1  0.0  0.0  0.69  1.0

data_AgGeMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   2.85
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   100.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgGeMo2
_chemical_formula_sum   'Ag2 Ge2 Mo4'
_cell_volume   130.31
_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  0.12  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.31  1.0
  Mo  Mo3  2  0.0  0.0  0.93  1.0

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