data_Cu2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   130.75
_cell_angle_beta   130.75
_cell_angle_gamma   72.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeMo
_chemical_formula_sum   'Cu2 Ge1 Mo1'
_cell_volume   55.36
_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  0.0  1.0
  Cu  Cu1  1  0.93  0.0  0.87  1.0
  Ge  Ge2  1  0.0  0.0  0.73  1.0
  Mo  Mo3  1  0.0  0.93  0.87  1.0

data_Cu2GeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   4.62
_cell_angle_alpha   114.62
_cell_angle_beta   114.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeMo
_chemical_formula_sum   'Cu2 Ge1 Mo1'
_cell_volume   55.36
_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  0.0  1.0
  Cu  Cu1  1  0.87  0.94  0.94  1.0
  Ge  Ge2  1  0.73  0.73  0.73  1.0
  Mo  Mo3  1  0.94  0.87  0.94  1.0

Cu Cu Ge Mo