data_FeRe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   133.86
_cell_angle_beta   133.86
_cell_angle_gamma   67.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRe2Ge
_chemical_formula_sum   'Fe1 Re2 Ge1'
_cell_volume   55.1
_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  0.0  1.0
  Re  Re2  1  0.0  0.86  0.98  1.0
  Re  Re3  1  0.86  0.0  0.98  1.0
  Ge  Ge1  1  0.0  0.0  0.96  1.0

data_FeRe2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   123.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeRe2Ge
_chemical_formula_sum   'Fe2 Re4 Ge2'
_cell_volume   110.21
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Re  Re1  4  0.45  0.43  0.88  1.0
  Ge  Ge2  2  0.04  0.0  0.04  1.0

Fe Re Re Ge