data_FeReGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   144.63
_cell_angle_beta   131.77
_cell_angle_gamma   61.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReGe
_chemical_formula_sum   'Fe1 Re1 Ge1'
_cell_volume   40.13
_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
  Fe  Fe0  1  0.0  0.0  0.79  1.0
  Re  Re2  1  0.0  0.0  0.65  1.0
  Ge  Ge1  1  0.0  0.0  0.2  1.0

data_FeReGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.71
_cell_length_c   4.55
_cell_angle_alpha   114.12
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReGe
_chemical_formula_sum   'Fe1 Re1 Ge1'
_cell_volume   40.13
_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
  Fe  Fe0  1  0.21  0.21  0.21  1.0
  Re  Re1  1  0.35  0.35  0.35  1.0
  Ge  Ge2  1  0.8  0.8  0.8  1.0

Fe Re Ge
Fe Re Ge 0 1 o o o 0 2 o o + 1 2 o o o 