data_Cr2FeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.41
_cell_angle_alpha   101.95
_cell_angle_beta   101.95
_cell_angle_gamma   33.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeMo
_chemical_formula_sum   'Cr2 Fe1 Mo1'
_cell_volume   50.44
_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  0.07  0.0  0.13  1.0
  Cr  Cr1  1  0.44  0.0  0.06  1.0
  Fe  Fe2  1  0.81  0.0  0.12  1.0
  Mo  Mo3  1  0.4  0.0  0.15  1.0

data_Cr2FeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.41
_cell_length_c   4.58
_cell_angle_alpha   101.95
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeMo
_chemical_formula_sum   'Cr2 Fe1 Mo1'
_cell_volume   50.44
_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  0.06  0.44  1.0
  Cr  Cr1  1  0.0  0.13  0.07  1.0
  Fe  Fe2  1  0.0  0.12  0.81  1.0
  Mo  Mo3  1  0.0  0.15  0.4  1.0

Cr Cr Fe Mo