data_BeCr2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Fe
_chemical_formula_sum   'Be1 Cr2 Fe1'
_cell_volume   42.45
_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
  Be  Be0  1  0.0  0.0  0.9  1.0
  Cr  Cr1  1  0.42  0.42  0.21  1.0
  Cr  Cr2  1  0.0  0.0  0.29  1.0
  Fe  Fe3  1  0.42  0.42  0.73  1.0

data_BeCr2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCr2Fe
_chemical_formula_sum   'Be2 Cr4 Fe2'
_cell_volume   84.89
_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
  Be  Be0  2  0.0  0.0  0.9  1.0
  Cr  Cr1  2  0.0  0.0  0.29  1.0
  Cr  Cr2  2  0.42  0.0  0.21  1.0
  Fe  Fe3  2  0.42  0.0  0.73  1.0

Be Cr Cr Fe
BeCr2Fe crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 1-coordinate geometry to one Cr(2), four equivalent Cr(1), and three equivalent Fe(1) atoms. The Be(1)-Cr(2) bond length is 2.09 Å. There are a spread of Be(1)-Cr(1) bond distances ranging from 2.35-2.84 Å. There is one shorter (1.92 Å) and two longer (2.22 Å) Be(1)-Fe(1) bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 10-coordinate geometry to four equivalent Be(1), four equivalent Cr(2), and two equivalent Fe(1) atoms. There are a spread of Cr(1)-Cr(2) bond distances ranging from 1.76-2.37 Å. There is one shorter (2.52 Å) and one longer (2.73 Å) Cr(1)-Fe(1) bond length. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one Be(1) and four equivalent Cr(1) atoms. Fe(1) is bonded in a 3-coordinate geometry to three equivalent Be(1) and two equivalent Cr(1) atoms.