data_ZnReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.81
_cell_angle_alpha   96.08
_cell_angle_beta   96.08
_cell_angle_gamma   37.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReGe2
_chemical_formula_sum   'Zn1 Re1 Ge2'
_cell_volume   63.14
_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  0.0  1.0
  Re  Re2  1  0.15  0.0  0.39  1.0
  Ge  Ge0  1  0.68  0.0  0.47  1.0
  Ge  Ge1  1  0.62  0.0  0.31  1.0

data_ZnReGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.66
_cell_length_c   4.81
_cell_angle_alpha   96.08
_cell_angle_beta   90.0
_cell_angle_gamma   108.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReGe2
_chemical_formula_sum   'Zn1 Re1 Ge2'
_cell_volume   63.14
_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  0.0  1.0
  Re  Re1  1  0.0  0.85  0.61  1.0
  Ge  Ge2  1  0.0  0.32  0.53  1.0
  Ge  Ge3  1  0.0  0.38  0.69  1.0

Zn Re Ge Ge
Zn Re Ge Ge 0 1 o o o 1 3 - o o 1 3 o o o 1 2 - o o 1 2 o o o 2 3 o o o 