data_YCr2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   6.81
_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   60.24
_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  0.49  0.49  0.1  1.0
  Cr  Cr0  1  0.0  0.0  0.46  1.0
  Cr  Cr1  1  0.49  0.49  0.72  1.0
  Fe  Fe2  1  0.0  0.0  0.93  1.0

data_YCr2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   6.81
_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   120.48
_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  0.49  0.0  0.1  1.0
  Cr  Cr1  2  0.0  0.0  0.46  1.0
  Cr  Cr2  2  0.49  0.0  0.72  1.0
  Fe  Fe3  2  0.0  0.0  0.93  1.0

Y Cr Cr Fe
Y Cr Cr Fe 0 3 o o - 0 3 o + - 0 3 + o - 0 3 + + - 0 2 o o - 0 1 + + o 0 1 + o o 0 1 o + o 0 1 o o o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 1 + o o 1 1 o + o 1 3 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 
YCr2Fe crystallizes in the monoclinic Cm space group. Y(1) is bonded in a 4-coordinate geometry to one Cr(2), four equivalent Cr(1), and four equivalent Fe(1) atoms. The Y(1)-Cr(2) bond length is 2.59 Å. There are a spread of Y(1)-Cr(1) bond distances ranging from 3.23-3.30 Å. There are a spread of Y(1)-Fe(1) bond distances ranging from 2.33-2.42 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 12-coordinate geometry to four equivalent Y(1), four equivalent Cr(1), and four equivalent Cr(2) atoms. All Cr(1)-Cr(1) bond lengths are 2.98 Å. There are a spread of Cr(1)-Cr(2) bond distances ranging from 2.68-2.76 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Y(1), four equivalent Cr(1), and four equivalent Fe(1) atoms. There are a spread of Cr(2)-Fe(1) bond distances ranging from 2.54-2.62 Å. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Y(1) and four equivalent Cr(2) atoms.