data_Cr2Fe2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   142.4
_cell_angle_beta   142.4
_cell_angle_gamma   54.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Fe2Cu
_chemical_formula_sum   'Cr2 Fe2 Cu1'
_cell_volume   63.37
_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  0.0  0.0  0.06  1.0
  Cr  Cr1  1  0.0  0.0  0.83  1.0
  Fe  Fe3  1  0.0  0.79  0.47  1.0
  Fe  Fe4  1  0.79  0.0  0.47  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Cr2Fe2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   117.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2Fe2Cu
_chemical_formula_sum   'Cr4 Fe4 Cu2'
_cell_volume   126.74
_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
  Cr  Cr0  2  0.0  0.0  0.17  1.0
  Cr  Cr1  2  0.0  0.0  0.94  1.0
  Fe  Fe2  4  0.4  0.4  0.32  1.0
  Cu  Cu3  2  0.0  0.0  0.0  1.0

Cr Cr Fe Fe Cu