data_CrCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   3.89
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuGe2
_chemical_formula_sum   'Cr1 Cu1 Ge2'
_cell_volume   57.19
_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  0.0  1.0
  Cu  Cu1  1  0.31  0.0  0.73  1.0
  Ge  Ge2  1  0.18  0.94  0.18  1.0
  Ge  Ge3  1  0.45  0.94  0.27  1.0

data_CrCuGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   3.89
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuGe2
_chemical_formula_sum   'Cr1 Cu1 Ge2'
_cell_volume   57.19
_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  0.0  1.0
  Cu  Cu1  1  0.31  0.0  0.73  1.0
  Ge  Ge2  1  0.18  0.94  0.18  1.0
  Ge  Ge3  1  0.45  0.94  0.27  1.0

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