data_Ge2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.1
_cell_angle_alpha   100.64
_cell_angle_beta   100.64
_cell_angle_gamma   40.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2MoAu
_chemical_formula_sum   'Ge2 Mo1 Au1'
_cell_volume   68.98
_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
  Ge  Ge1  1  0.18  0.0  0.01  1.0
  Ge  Ge2  1  0.49  0.0  0.99  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.84  0.0  0.5  1.0

data_Ge2MoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.62
_cell_length_c   5.1
_cell_angle_alpha   100.64
_cell_angle_beta   90.0
_cell_angle_gamma   110.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2MoAu
_chemical_formula_sum   'Ge2 Mo1 Au1'
_cell_volume   68.98
_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
  Ge  Ge0  1  0.0  0.51  0.01  1.0
  Ge  Ge1  1  0.0  0.82  0.99  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.16  0.5  1.0

Ge Ge Mo Au