data_Cu2ReGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   132.46
_cell_angle_beta   132.46
_cell_angle_gamma   69.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReGe
_chemical_formula_sum   'Cu2 Re1 Ge1'
_cell_volume   54.2
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.88  0.0  0.92  1.0
  Re  Re3  1  0.0  0.88  0.92  1.0
  Ge  Ge2  1  0.0  0.0  0.83  1.0

data_Cu2ReGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   4.67
_cell_angle_alpha   113.77
_cell_angle_beta   113.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReGe
_chemical_formula_sum   'Cu2 Re1 Ge1'
_cell_volume   54.2
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.08  0.0  0.96  1.0
  Re  Re2  1  0.96  0.88  0.96  1.0
  Ge  Ge3  1  0.17  0.0  0.17  1.0

Cu Cu Re Ge