data_Cr2FeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeGe
_chemical_formula_sum   'Cr2 Fe1 Ge1'
_cell_volume   47.43
_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
  Cr  Cr0  1  0.0  0.0  0.09  1.0
  Cr  Cr1  1  0.46  0.46  0.3  1.0
  Fe  Fe2  1  0.0  0.0  0.81  1.0
  Ge  Ge3  1  0.46  0.46  0.13  1.0

data_Cr2FeGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2FeGe
_chemical_formula_sum   'Cr4 Fe2 Ge2'
_cell_volume   94.85
_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
  Cr  Cr0  2  0.0  0.0  0.09  1.0
  Cr  Cr1  2  0.46  0.0  0.3  1.0
  Fe  Fe2  2  0.0  0.0  0.81  1.0
  Ge  Ge3  2  0.46  0.0  0.13  1.0

Cr Cr Fe Ge
Cr Cr Fe Ge 0 2 o o - 1 3 o o o 