data_PrBeV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrBeV2
_chemical_formula_sum   'Pr1 Be1 V2'
_cell_volume   65.4
_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
  Pr  Pr1  1  0.2  0.2  0.2  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.8  0.8  0.8  1.0
  V  V3  1  0.6  0.6  0.6  1.0

data_PrBeV2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PrBeV2
_chemical_formula_sum   'Pr3 Be3 V6'
_cell_volume   196.19
_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
  Pr  Pr0  3  0.0  0.0  0.8  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  V  V2  3  0.0  0.0  0.2  1.0
  V  V3  3  0.0  0.0  0.4  1.0

Pr Be V V
BePrV2 crystallizes in the trigonal R3m space group. Be(1) is bonded in a 2-coordinate geometry to one Pr(1), one V(1), and three equivalent V(2) atoms. The Be(1)-Pr(1) bond length is 2.19 Å. The Be(1)-V(1) bond length is 2.25 Å. All Be(1)-V(2) bond lengths are 2.72 Å. Pr(1) is bonded in a 1-coordinate geometry to one Be(1), three equivalent V(1), and three equivalent V(2) atoms. All Pr(1)-V(1) bond lengths are 2.72 Å. All Pr(1)-V(2) bond lengths are 2.72 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one Be(1), three equivalent Pr(1), and one V(2) atom. The V(1)-V(2) bond length is 2.19 Å. In the second V site, V(2) is bonded in a 7-coordinate geometry to three equivalent Be(1), three equivalent Pr(1), and one V(1) atom.