data_Cr2FeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   4.08
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   99.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeRe
_chemical_formula_sum   'Cr2 Fe1 Re1'
_cell_volume   49.38
_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
  Cr  Cr0  1  0.09  0.04  0.64  1.0
  Cr  Cr1  1  0.62  0.04  0.12  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.86  0.0  0.38  1.0

data_Cr2FeRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.08
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   99.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeRe
_chemical_formula_sum   'Cr2 Fe1 Re1'
_cell_volume   49.38
_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
  Cr  Cr0  1  0.09  0.04  0.64  1.0
  Cr  Cr1  1  0.62  0.04  0.12  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.86  0.0  0.38  1.0

Cr Cr Fe Re
Cr Cr Fe Re 0 3 - o o 1 2 + o o 1 3 o o o 