data_YCr2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr2Fe
_chemical_formula_sum   'Y1 Cr2 Fe1'
_cell_volume   63.29
_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
  Y  Y3  1  0.0  0.0  0.28  1.0
  Cr  Cr0  1  0.55  0.55  0.53  1.0
  Cr  Cr1  1  0.55  0.55  0.03  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0

data_YCr2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YCr2Fe
_chemical_formula_sum   'Y2 Cr4 Fe2'
_cell_volume   126.57
_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
  Y  Y0  2  0.0  0.0  0.28  1.0
  Cr  Cr1  2  0.05  0.5  0.03  1.0
  Cr  Cr2  2  0.05  0.5  0.53  1.0
  Fe  Fe3  2  0.0  0.0  0.0  1.0

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