data_Mn2CrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44
_cell_length_b   4.0
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   98.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFe
_chemical_formula_sum   'Mn2 Cr1 Fe1'
_cell_volume   45.01
_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
  Mn  Mn2  1  0.07  1.0  0.45  1.0
  Mn  Mn3  1  0.69  1.0  0.16  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.88  0.0  0.3  1.0

data_Mn2CrFe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.44
_cell_length_b   4.0
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   98.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn2CrFe
_chemical_formula_sum   'Mn2 Cr1 Fe1'
_cell_volume   45.01
_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
  Mn  Mn0  1  0.07  0.0  0.45  1.0
  Mn  Mn1  1  0.69  0.0  0.16  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.88  0.0  0.3  1.0

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