data_CsPa2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPa2W
_chemical_formula_sum   'Cs1 Pa2 W1'
_cell_volume   99.6
_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  0.0  0.0  0.0  1.0
  Pa  Pa1  1  0.52  0.52  0.52  1.0
  Pa  Pa2  1  0.84  0.84  0.84  1.0
  W  W3  1  0.68  0.68  0.68  1.0

data_CsPa2W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsPa2W
_chemical_formula_sum   'Cs3 Pa6 W3'
_cell_volume   298.81
_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  0.0  1.0
  Pa  Pa1  3  0.0  0.0  0.16  1.0
  Pa  Pa2  3  0.0  0.0  0.48  1.0
  W  W3  3  0.0  0.0  0.32  1.0

Cs Pa Pa W
CsPa2W crystallizes in the trigonal R3m space group. Cs(1) is bonded to one Pa(2) and three equivalent W(1) atoms to form distorted CsPaW3 trigonal pyramids that share  a cornercorner with one W(1)Cs3Pa2 trigonal bipyramid and corners with six equivalent Cs(1)PaW3 trigonal pyramids. The Cs(1)-Pa(2) bond length is 2.04 Å. All Cs(1)-W(1) bond lengths are 3.01 Å. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded in a single-bond geometry to one W(1) atom. The Pa(1)-W(1) bond length is 2.04 Å. In the second Pa site, Pa(2) is bonded in a linear geometry to one Cs(1) and one W(1) atom. The Pa(2)-W(1) bond length is 2.04 Å. W(1) is bonded to three equivalent Cs(1), one Pa(1), and one Pa(2) atom to form distorted WCs3Pa2 trigonal bipyramids that share corners with six equivalent W(1)Cs3Pa2 trigonal bipyramids and  a cornercorner with one Cs(1)PaW3 trigonal pyramid.