data_CrCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.99
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   96.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Ge
_chemical_formula_sum   'Cr1 Cd2 Ge1'
_cell_volume   73.9
_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  Cr2  1  0.68  0.0  0.8  1.0
  Cd  Cd0  1  0.35  0.0  0.11  1.0
  Cd  Cd1  1  0.1  0.99  0.71  1.0
  Ge  Ge3  1  0.23  0.99  0.39  1.0

data_CrCd2Ge
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.78
_cell_length_b   3.99
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   96.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrCd2Ge
_chemical_formula_sum   'Cr1 Cd2 Ge1'
_cell_volume   73.9
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.68  0.0  0.8  1.0
  Cd  Cd1  1  0.1  0.0  0.71  1.0
  Cd  Cd2  1  0.35  0.0  0.11  1.0
  Ge  Ge3  1  0.23  0.0  0.39  1.0

Cr Cd Cd Ge