data_ZrReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   20.99
_cell_angle_beta   20.99
_cell_angle_gamma   20.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReGe2
_chemical_formula_sum   'Zr1 Re1 Ge2'
_cell_volume   70.02
_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  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.53  1.0
  Ge  Ge0  1  0.0  0.0  0.01  1.0
  Ge  Ge1  1  0.0  0.0  0.04  1.0

data_ZrReGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   3.11
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   102.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrReGe2
_chemical_formula_sum   'Zr2 Re2 Ge4'
_cell_volume   140.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.47  1.0
  Ge  Ge2  2  0.0  0.0  0.96  1.0
  Ge  Ge3  2  0.0  0.0  0.99  1.0

Zr Re Ge Ge