data_BeTl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2V
_chemical_formula_sum   'Be1 Tl2 V1'
_cell_volume   77.88
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.58  0.0  0.11  1.0
  Tl  Tl2  1  0.58  0.0  0.81  1.0
  V  V3  1  0.0  0.0  0.46  1.0

data_BeTl2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.18
_cell_length_b   5.48
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeTl2V
_chemical_formula_sum   'Be2 Tl4 V2'
_cell_volume   155.77
_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  0.0  1.0
  Tl  Tl1  2  0.42  0.0  0.19  1.0
  Tl  Tl2  2  0.42  0.0  0.89  1.0
  V  V3  2  0.0  0.0  0.54  1.0

Be Tl Tl V
Be Tl Tl V 0 1 - o o 0 2 o o - 0 2 - o - 1 2 o o - 1 3 + o o 1 3 o o o 2 3 + o o 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 
BeVTl2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a 4-coordinate geometry to two equivalent Tl(1) and two equivalent Tl(2) atoms. There is one shorter (1.68 Å) and one longer (2.10 Å) Be(1)-Tl(1) bond length. There is one shorter (2.18 Å) and one longer (2.52 Å) Be(1)-Tl(2) bond length. V(1) is bonded in a 10-coordinate geometry to six equivalent V(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. There are two shorter (3.16 Å) and four longer (3.18 Å) V(1)-V(1) bond lengths. There is one shorter (3.38 Å) and one longer (3.61 Å) V(1)-Tl(1) bond length. There is one shorter (3.38 Å) and one longer (3.61 Å) V(1)-Tl(2) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Be(1) and two equivalent V(1) atoms. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to two equivalent Be(1) and two equivalent V(1) atoms.