data_Cr2FeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.5
_cell_length_b   3.63
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeCu
_chemical_formula_sum   'Cr2 Fe1 Cu1'
_cell_volume   45.32
_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  0.25  0.82  0.16  1.0
  Cr  Cr1  1  0.25  0.82  0.83  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.49  1.0

data_Cr2FeCu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.5
_cell_length_b   4.99
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr2FeCu
_chemical_formula_sum   'Cr2 Fe1 Cu1'
_cell_volume   45.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.25  0.16  0.82  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.5  0.0  1.0

Cr Cr Fe Cu