data_CrFe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   2.83
_cell_angle_alpha   93.73
_cell_angle_beta   93.73
_cell_angle_gamma   118.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Cl
_chemical_formula_sum   'Cr1 Fe2 Cl1'
_cell_volume   56.84
_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  Cr1  1  0.45  0.0  0.0  1.0
  Fe  Fe2  1  0.04  0.93  0.4  1.0
  Fe  Fe3  1  0.04  0.07  0.4  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CrFe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   118.66
_cell_angle_beta   93.73
_cell_angle_gamma   93.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Cl
_chemical_formula_sum   'Cr1 Fe2 Cl1'
_cell_volume   56.84
_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  0.45  0.0  1.0
  Fe  Fe1  1  0.4  0.04  0.07  1.0
  Fe  Fe2  1  0.4  0.04  0.93  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cr Fe Fe Cl