data_ZnCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   10.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Ge
_chemical_formula_sum   'Zn1 Cd2 Ge1'
_cell_volume   83.64
_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
  Zn  Zn3  1  0.0  0.0  0.76  1.0
  Cd  Cd0  1  0.45  0.0  0.23  1.0
  Cd  Cd1  1  0.0  0.0  0.12  1.0
  Ge  Ge2  1  0.45  0.0  0.13  1.0

data_ZnCd2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.04
_cell_length_c   10.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Ge
_chemical_formula_sum   'Zn1 Cd2 Ge1'
_cell_volume   83.64
_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
  Zn  Zn0  1  0.0  0.0  0.76  1.0
  Cd  Cd1  1  0.0  0.0  0.12  1.0
  Cd  Cd2  1  0.0  0.45  0.23  1.0
  Ge  Ge3  1  0.0  0.45  0.13  1.0

Zn Cd Cd Ge
Zn Cd Cd Ge 0 0 + + o 0 0 o + o 0 0 + o o 1 3 o o o 2 3 o o o 