data_LaBeCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeCr2
_chemical_formula_sum   'La1 Be1 Cr2'
_cell_volume   60.81
_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  0.02  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.92  0.0  0.37  1.0
  Cr  Cr2  1  0.92  0.0  0.67  1.0

data_LaBeCr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaBeCr2
_chemical_formula_sum   'La1 Be1 Cr2'
_cell_volume   60.84
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  La0  1  0.0  0.0  0.02  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.92  0.0  0.37  1.0
  Cr  Cr3  1  0.92  0.0  0.67  1.0

La Be Cr Cr
BeLaCr2 crystallizes in the monoclinic Pm space group. Be(1) is bonded in a single-bond geometry to one La(1) and one Cr(2) atom. The Be(1)-La(1) bond length is 0.16 Å. The Be(1)-Cr(2) bond length is 2.63 Å. La(1) is bonded in a single-bond geometry to one Be(1) and one Cr(1) atom. The La(1)-Cr(1) bond length is 2.79 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one La(1), one Cr(2), and four equivalent Cr(1) atoms to form distorted CrLaCr5 octahedra that share corners with four equivalent Cr(1)LaCr5 octahedra, edges with four equivalent Cr(2)BeCr5 octahedra, and edges with four equivalent Cr(1)LaCr5 octahedra. The corner-sharing octahedra are not tilted. The Cr(1)-Cr(2) bond length is 2.48 Å. All Cr(1)-Cr(1) bond lengths are 2.75 Å. In the second Cr site, Cr(2) is bonded to one Be(1), one Cr(1), and four equivalent Cr(2) atoms to form CrBeCr5 octahedra that share corners with four equivalent Cr(2)BeCr5 octahedra, edges with four equivalent Cr(2)BeCr5 octahedra, and edges with four equivalent Cr(1)LaCr5 octahedra. The corner-sharing octahedra are not tilted. All Cr(2)-Cr(2) bond lengths are 2.75 Å.