data_Co2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   3.98
_cell_angle_alpha   102.96
_cell_angle_beta   102.96
_cell_angle_gamma   38.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiGe
_chemical_formula_sum   'Co2 Si1 Ge1'
_cell_volume   47.09
_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
  Co  Co0  1  0.04  0.0  0.3  1.0
  Co  Co1  1  0.37  0.0  0.63  1.0
  Si  Si3  1  0.07  0.0  0.7  1.0
  Ge  Ge2  1  0.68  0.0  0.18  1.0

data_Co2SiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.98
_cell_length_c   4.44
_cell_angle_alpha   102.96
_cell_angle_beta   109.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiGe
_chemical_formula_sum   'Co2 Si1 Ge1'
_cell_volume   47.09
_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
  Co  Co0  1  0.0  0.3  0.04  1.0
  Co  Co1  1  0.0  0.63  0.37  1.0
  Si  Si2  1  0.0  0.7  0.07  1.0
  Ge  Ge3  1  0.0  0.18  0.68  1.0

Co Co Si Ge
Co Co Si Ge 0 3 - o o 0 2 o o o 0 1 o o o 1 2 o o o 