data_Zr2NpCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NpCo
_chemical_formula_sum   'Zr2 Np1 Co1'
_cell_volume   73.23
_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
  Zr  Zr2  1  0.98  0.98  0.98  1.0
  Zr  Zr3  1  0.66  0.66  0.66  1.0
  Np  Np1  1  0.32  0.32  0.32  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Zr2NpCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   11.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zr2NpCo
_chemical_formula_sum   'Zr6 Np3 Co3'
_cell_volume   219.68
_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
  Zr  Zr0  3  0.0  0.0  0.02  1.0
  Zr  Zr1  3  0.0  0.0  0.34  1.0
  Np  Np2  3  0.0  0.0  0.68  1.0
  Co  Co3  3  0.0  0.0  0.0  1.0

Zr Zr Np Co
NpZr2Co crystallizes in the trigonal R3m space group. Np(1) is bonded in a 11-coordinate geometry to three equivalent Zr(1), four equivalent Zr(2), and four equivalent Co(1) atoms. All Np(1)-Zr(1) bond lengths are 2.71 Å. There are three shorter (2.71 Å) and one longer (3.91 Å) Np(1)-Zr(2) bond length. There are three shorter (2.72 Å) and one longer (3.69 Å) Np(1)-Co(1) bond length. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a single-bond geometry to three equivalent Np(1), four equivalent Zr(2), and one Co(1) atom. There are three shorter (2.72 Å) and one longer (3.69 Å) Zr(1)-Zr(2) bond length. The Zr(1)-Co(1) bond length is 0.22 Å. In the second Zr site, Zr(2) is bonded in a distorted hexagonal planar geometry to four equivalent Np(1), four equivalent Zr(1), and three equivalent Co(1) atoms. All Zr(2)-Co(1) bond lengths are 2.71 Å. Co(1) is bonded in a single-bond geometry to four equivalent Np(1), one Zr(1), and three equivalent Zr(2) atoms.