data_LaBeFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeFe2
_chemical_formula_sum   'La1 Be1 Fe2'
_cell_volume   58.46
_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
  La  La3  1  0.0  0.0  0.51  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.44  0.44  0.09  1.0
  Fe  Fe2  1  0.44  0.44  0.93  1.0

data_LaBeFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBeFe2
_chemical_formula_sum   'La2 Be2 Fe4'
_cell_volume   116.92
_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
  La  La0  2  0.0  0.0  0.51  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Fe  Fe2  2  0.44  0.0  0.09  1.0
  Fe  Fe3  2  0.44  0.0  0.93  1.0

La Be Fe Fe
La Be Fe Fe 0 2 - o o 0 2 o - o 0 2 o o o 0 3 - o o 0 3 o - o 0 3 o o o 0 0 + o o 0 0 o + o 0 1 o o o 0 1 o o + 1 3 - - - 1 3 - o - 1 3 o - - 1 3 o o - 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 2 3 o o - 
BeLaFe2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 8-coordinate geometry to two equivalent La(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. There is one shorter (3.42 Å) and one longer (3.60 Å) Be(1)-La(1) bond length. There are a spread of Be(1)-Fe(1) bond distances ranging from 1.91-2.36 Å. There are a spread of Be(1)-Fe(2) bond distances ranging from 1.86-2.32 Å. La(1) is bonded in a 14-coordinate geometry to two equivalent Be(1), four equivalent La(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. All La(1)-La(1) bond lengths are 2.88 Å. There are a spread of La(1)-Fe(1) bond distances ranging from 3.47-3.74 Å. There are a spread of La(1)-Fe(2) bond distances ranging from 3.47-3.74 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to four equivalent Be(1), four equivalent La(1), and one Fe(2) atom. The Fe(1)-Fe(2) bond length is 1.09 Å. In the second Fe site, Fe(2) is bonded in a 1-coordinate geometry to four equivalent Be(1), four equivalent La(1), and one Fe(1) atom.