data_ZnGeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   7.75
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeP2
_chemical_formula_sum   'Zn4 Ge4 P8'
_cell_volume   327.99
_cell_formula_units_Z   4
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  Zn12  1  0.58  0.93  0.36  1.0
  Zn  Zn13  1  0.08  0.82  0.18  1.0
  Zn  Zn14  1  0.91  0.95  0.36  1.0
  Zn  Zn15  1  0.75  0.8  0.18  1.0
  Ge  Ge0  1  0.52  0.78  0.36  1.0
  Ge  Ge1  1  0.13  0.97  0.18  1.0
  Ge  Ge2  1  0.85  0.84  0.36  1.0
  Ge  Ge3  1  0.8  0.9  0.18  1.0
  P  P4  1  0.51  0.78  0.99  1.0
  P  P5  1  0.14  0.97  0.81  1.0
  P  P6  1  0.84  0.84  0.99  1.0
  P  P7  1  0.81  0.91  0.81  1.0
  P  P8  1  0.59  0.89  0.97  1.0
  P  P9  1  0.07  0.86  0.79  1.0
  P  P10  1  0.91  0.98  0.97  1.0
  P  P11  1  0.74  0.76  0.79  1.0

data_ZnGeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.36
_cell_length_b   6.66
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeP2
_chemical_formula_sum   'Zn4 Ge4 P8'
_cell_volume   327.99
_cell_formula_units_Z   4
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  0.18  0.08  0.82  1.0
  Zn  Zn1  1  0.18  0.75  0.8  1.0
  Zn  Zn2  1  0.36  0.58  0.93  1.0
  Zn  Zn3  1  0.36  0.91  0.95  1.0
  Ge  Ge4  1  0.18  0.13  0.97  1.0
  Ge  Ge5  1  0.18  0.8  0.9  1.0
  Ge  Ge6  1  0.36  0.52  0.78  1.0
  Ge  Ge7  1  0.36  0.85  0.84  1.0
  P  P8  1  0.79  0.07  0.86  1.0
  P  P9  1  0.79  0.74  0.76  1.0
  P  P10  1  0.81  0.14  0.97  1.0
  P  P11  1  0.81  0.81  0.91  1.0
  P  P12  1  0.97  0.59  0.89  1.0
  P  P13  1  0.97  0.91  0.98  1.0
  P  P14  1  0.99  0.51  0.78  1.0
  P  P15  1  0.99  0.84  0.84  1.0

Zn Zn Zn Zn Ge Ge Ge Ge P P P P P P P P