data_EuPaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuPaAs2
_chemical_formula_sum   'Eu1 Pa1 As2'
_cell_volume   91.41
_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
  Eu  Eu2  1  0.0  0.0  0.0  1.0
  Pa  Pa3  1  0.58  0.58  0.58  1.0
  As  As0  1  0.36  0.36  0.36  1.0
  As  As1  1  0.79  0.79  0.79  1.0

data_EuPaAs2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   EuPaAs2
_chemical_formula_sum   'Eu3 Pa3 As6'
_cell_volume   274.22
_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
  Eu  Eu0  3  0.0  0.0  0.0  1.0
  Pa  Pa1  3  0.0  0.0  0.42  1.0
  As  As2  3  0.0  0.0  0.21  1.0
  As  As3  3  0.0  0.0  0.64  1.0

Eu Pa As As
Eu Pa As As 0 3 - - - 0 3 - - o 0 3 o - - 0 3 - o - 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
PaEuAs2 is Heusler structured and crystallizes in the trigonal R3m space group. Pa(1) is bonded in a distorted linear geometry to three equivalent Eu(1), one As(1), and one As(2) atom. All Pa(1)-Eu(1) bond lengths are 3.13 Å. The Pa(1)-As(1) bond length is 2.63 Å. The Pa(1)-As(2) bond length is 2.63 Å. Eu(1) is bonded in a 10-coordinate geometry to three equivalent Pa(1), three equivalent As(1), and four equivalent As(2) atoms. All Eu(1)-As(1) bond lengths are 2.94 Å. There is one shorter (2.63 Å) and three longer (3.28 Å) Eu(1)-As(2) bond lengths. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 4-coordinate geometry to one Pa(1) and three equivalent Eu(1) atoms. In the second As site, As(2) is bonded in a distorted linear geometry to one Pa(1) and four equivalent Eu(1) atoms.