data_CrCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Ge
_chemical_formula_sum   'Cr1 Cd2 Ge1'
_cell_volume   72.19
_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  Cr2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.36  0.79  0.5  1.0
  Cd  Cd1  1  0.36  0.21  0.5  1.0
  Ge  Ge3  1  0.72  0.0  0.0  1.0

data_CrCd2Ge
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.19
_cell_length_b   3.0
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   116.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrCd2Ge
_chemical_formula_sum   'Cr1 Cd2 Ge1'
_cell_volume   72.19
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.36  0.5  0.21  1.0
  Cd  Cd2  1  0.36  0.5  0.79  1.0
  Ge  Ge3  1  0.72  0.0  0.0  1.0

Cr Cd Cd Ge