data_CrCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   147.21
_cell_angle_beta   134.11
_cell_angle_gamma   57.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuGe
_chemical_formula_sum   'Cr1 Cu1 Ge1'
_cell_volume   39.44
_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  0.03  1.0
  Cu  Cu1  1  0.0  0.0  0.45  1.0
  Ge  Ge2  1  0.0  0.0  0.72  1.0

data_CrCuGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   3.65
_cell_length_c   4.68
_cell_angle_alpha   112.94
_cell_angle_beta   106.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuGe
_chemical_formula_sum   'Cr1 Cu1 Ge1'
_cell_volume   39.44
_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  0.97  0.97  0.97  1.0
  Cu  Cu1  1  0.55  0.55  0.55  1.0
  Ge  Ge2  1  0.28  0.28  0.28  1.0

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