data_ZrCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Ge
_chemical_formula_sum   'Zr1 Cd2 Ge1'
_cell_volume   84.9
_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
  Zr  Zr3  1  0.83  0.0  0.0  1.0
  Cd  Cd0  1  0.42  0.59  0.56  1.0
  Cd  Cd1  1  0.42  0.41  0.56  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_ZrCd2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   119.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Ge
_chemical_formula_sum   'Zr1 Cd2 Ge1'
_cell_volume   84.9
_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
  Zr  Zr0  1  0.0  0.83  0.0  1.0
  Cd  Cd1  1  0.56  0.42  0.59  1.0
  Cd  Cd2  1  0.56  0.42  0.41  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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