data_BeIn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68
_cell_length_b   8.68
_cell_length_c   8.68
_cell_angle_alpha   20.4
_cell_angle_beta   20.4
_cell_angle_gamma   20.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Fe
_chemical_formula_sum   'Be1 In2 Fe1'
_cell_volume   69.62
_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  0.0  1.0
  In  In2  1  0.0  0.0  0.43  1.0
  In  In3  1  0.0  0.0  0.07  1.0
  Fe  Fe1  1  0.0  0.0  0.75  1.0

data_BeIn2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   3.08
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   101.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeIn2Fe
_chemical_formula_sum   'Be2 In4 Fe2'
_cell_volume   139.24
_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  0.0  1.0
  In  In1  2  0.0  0.0  0.57  1.0
  In  In2  2  0.0  0.0  0.93  1.0
  Fe  Fe3  2  0.0  0.0  0.25  1.0

Be In In Fe
BeFeIn2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a single-bond geometry to one Fe(1) and one In(2) atom. The Be(1)-Fe(1) bond length is 2.17 Å. The Be(1)-In(2) bond length is 0.57 Å. Fe(1) is bonded in a distorted single-bond geometry to one Be(1) and one In(1) atom. The Fe(1)-In(1) bond length is 2.75 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Fe(1), one In(2), and six equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing InIn7Fe hexagonal bipyramids. The In(1)-In(2) bond length is 3.19 Å. All In(1)-In(1) bond lengths are 3.08 Å. In the second In site, In(2) is bonded in a single-bond geometry to one Be(1) and one In(1) atom.