data_CdGeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.62
_cell_angle_alpha   118.67
_cell_angle_beta   118.67
_cell_angle_gamma   33.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeP2
_chemical_formula_sum   'Cd1 Ge1 P2'
_cell_volume   82.54
_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
  Cd  Cd0  1  1.0  0.0  0.3  1.0
  Ge  Ge1  1  0.49  0.0  0.37  1.0
  P  P2  1  0.58  0.0  0.64  1.0
  P  P3  1  0.86  0.0  0.85  1.0

data_CdGeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.55
_cell_length_c   5.62
_cell_angle_alpha   118.67
_cell_angle_beta   90.0
_cell_angle_gamma   106.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeP2
_chemical_formula_sum   'Cd1 Ge1 P2'
_cell_volume   82.54
_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
  Cd  Cd0  1  0.0  0.0  0.7  1.0
  Ge  Ge1  1  0.0  0.51  0.63  1.0
  P  P2  1  0.0  0.14  0.15  1.0
  P  P3  1  0.0  0.42  0.36  1.0

Cd Ge P P
Cd Ge P P 0 3 o o - 0 1 + o o 1 2 o o o 2 3 o o o 