data_Be2VCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VCr
_chemical_formula_sum   'Be2 V1 Cr1'
_cell_volume   43.78
_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  0.46  0.46  0.09  1.0
  Be  Be1  1  0.0  0.0  0.24  1.0
  V  V3  1  0.0  0.0  0.76  1.0
  Cr  Cr2  1  0.46  0.46  0.64  1.0

data_Be2VCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2VCr
_chemical_formula_sum   'Be4 V2 Cr2'
_cell_volume   87.55
_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  0.24  1.0
  Be  Be1  2  0.46  0.0  0.09  1.0
  V  V2  2  0.0  0.0  0.76  1.0
  Cr  Cr3  2  0.46  0.0  0.64  1.0

Be Be V Cr
Be Be V Cr 0 2 o o - 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 3 o o - 1 2 o o - 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 
Be2VCr crystallizes in the monoclinic Cm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 10-coordinate geometry to four equivalent Be(2), four equivalent V(1), and two equivalent Cr(1) atoms. There are a spread of Be(1)-Be(2) bond distances ranging from 2.04-2.37 Å. There are a spread of Be(1)-V(1) bond distances ranging from 2.55-2.82 Å. There is one shorter (2.29 Å) and one longer (2.86 Å) Be(1)-Cr(1) bond length. In the second Be site, Be(2) is bonded in a 10-coordinate geometry to four equivalent Be(1), two equivalent V(1), and four equivalent Cr(1) atoms. There is one shorter (2.50 Å) and one longer (2.65 Å) Be(2)-V(1) bond length. There are a spread of Be(2)-Cr(1) bond distances ranging from 2.81-3.05 Å. V(1) is bonded in a 10-coordinate geometry to two equivalent Be(2), four equivalent Be(1), and four equivalent Cr(1) atoms. There are a spread of V(1)-Cr(1) bond distances ranging from 1.97-2.31 Å. Cr(1) is bonded in a 5-coordinate geometry to two equivalent Be(1), four equivalent Be(2), and four equivalent V(1) atoms.