data_CuGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   140.79
_cell_angle_beta   134.14
_cell_angle_gamma   61.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2Mo
_chemical_formula_sum   'Cu1 Ge2 Mo1'
_cell_volume   59.15
_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
  Cu  Cu0  1  0.0  0.0  0.62  1.0
  Ge  Ge1  1  0.0  0.98  0.32  1.0
  Ge  Ge2  1  0.0  0.0  0.19  1.0
  Mo  Mo3  1  0.71  0.0  0.33  1.0

data_CuGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.97
_cell_length_c   5.09
_cell_angle_alpha   112.93
_cell_angle_beta   109.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2Mo
_chemical_formula_sum   'Cu1 Ge2 Mo1'
_cell_volume   59.15
_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
  Cu  Cu0  1  0.0  0.62  0.62  1.0
  Ge  Ge1  1  0.0  0.19  0.19  1.0
  Ge  Ge2  1  0.02  0.34  0.34  1.0
  Mo  Mo3  1  0.0  0.33  0.62  1.0

Cu Ge Ge Mo