data_BaLaBeV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaBeV
_chemical_formula_sum   'Ba1 La1 Be1 V1'
_cell_volume   94.34
_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
  Ba  Ba0  1  0.61  0.61  0.61  1.0
  La  La2  1  0.42  0.42  0.42  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  V  V3  1  0.81  0.81  0.81  1.0

data_BaLaBeV
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaLaBeV
_chemical_formula_sum   'Ba3 La3 Be3 V3'
_cell_volume   283.03
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ba  Ba0  3  0.0  0.0  0.39  1.0
  La  La1  3  0.0  0.0  0.58  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  V  V3  3  0.0  0.0  0.19  1.0

Ba La Be V
BaBeLaV crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 5-coordinate geometry to three equivalent Be(1), one La(1), and one V(1) atom. All Ba(1)-Be(1) bond lengths are 3.03 Å. The Ba(1)-La(1) bond length is 2.42 Å. The Ba(1)-V(1) bond length is 2.42 Å. Be(1) is bonded to three equivalent Ba(1), three equivalent La(1), and one V(1) atom to form distorted edge-sharing BeBa3La3V hexagonal pyramids. All Be(1)-La(1) bond lengths are 3.14 Å. The Be(1)-V(1) bond length is 2.42 Å. La(1) is bonded in a 7-coordinate geometry to one Ba(1), three equivalent Be(1), and three equivalent V(1) atoms. All La(1)-V(1) bond lengths are 3.03 Å. V(1) is bonded in a 1-coordinate geometry to one Ba(1), one Be(1), and three equivalent La(1) atoms.