data_CsU2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsU2V
_chemical_formula_sum   'Cs1 U2 V1'
_cell_volume   100.35
_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
  Cs  Cs0  1  0.69  0.69  0.69  1.0
  U  U1  1  0.84  0.84  0.84  1.0
  U  U2  1  0.53  0.53  0.53  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_CsU2V
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsU2V
_chemical_formula_sum   'Cs3 U6 V3'
_cell_volume   301.04
_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
  Cs  Cs0  3  0.0  0.0  0.31  1.0
  U  U1  3  0.0  0.0  0.16  1.0
  U  U2  3  0.0  0.0  0.47  1.0
  V  V3  3  0.0  0.0  0.0  1.0

Cs U U V
Cs U U V 0 2 o o o 0 1 o o o 1 3 + + + 
CsU2V crystallizes in the trigonal R3m space group. Cs(1) is bonded in a distorted linear geometry to one U(1), one U(2), and three equivalent V(1) atoms. The Cs(1)-U(1) bond length is 1.99 Å. The Cs(1)-U(2) bond length is 1.99 Å. All Cs(1)-V(1) bond lengths are 3.02 Å. There are two inequivalent U sites. In the first U site, U(1) is bonded in a linear geometry to one Cs(1) and one V(1) atom. The U(1)-V(1) bond length is 1.99 Å. In the second U site, U(2) is bonded in a single-bond geometry to one Cs(1) atom. V(1) is bonded to three equivalent Cs(1) and one U(1) atom to form distorted corner-sharing VCs3U trigonal pyramids.