data_Zr4Rh2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   8.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Rh2N
_chemical_formula_sum   'Zr16 Rh8 N4'
_cell_volume   485.35
_cell_formula_units_Z   4
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  Zr0  1  0.8  0.68  0.68  1.0
  Zr  Zr1  1  0.68  0.8  0.68  1.0
  Zr  Zr2  1  0.68  0.68  0.8  1.0
  Zr  Zr3  1  0.8  0.8  0.8  1.0
  Zr  Zr4  1  0.24  0.24  0.2  1.0
  Zr  Zr5  1  0.24  0.24  0.28  1.0
  Zr  Zr6  1  0.24  0.2  0.24  1.0
  Zr  Zr7  1  0.24  0.28  0.24  1.0
  Zr  Zr8  1  0.2  0.24  0.24  1.0
  Zr  Zr9  1  0.28  0.24  0.24  1.0
  Zr  Zr10  1  0.12  0.12  0.4  1.0
  Zr  Zr11  1  0.12  0.12  0.84  1.0
  Zr  Zr12  1  0.12  0.4  0.12  1.0
  Zr  Zr13  1  0.12  0.84  0.12  1.0
  Zr  Zr14  1  0.4  0.12  0.12  1.0
  Zr  Zr15  1  0.84  0.12  0.12  1.0
  Rh  Rh16  1  0.1  0.37  0.37  1.0
  Rh  Rh17  1  0.37  0.1  0.37  1.0
  Rh  Rh18  1  0.37  0.37  0.1  1.0
  Rh  Rh19  1  0.1  0.1  0.1  1.0
  Rh  Rh20  1  0.49  0.22  0.22  1.0
  Rh  Rh21  1  0.22  0.49  0.22  1.0
  Rh  Rh22  1  0.22  0.22  0.49  1.0
  Rh  Rh23  1  0.49  0.49  0.49  1.0
  N  N24  1  0.56  0.68  0.68  1.0
  N  N25  1  0.68  0.56  0.68  1.0
  N  N26  1  0.68  0.68  0.56  1.0
  N  N27  1  0.56  0.56  0.56  1.0

data_Zr4Rh2N
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   21.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zr4Rh2N
_chemical_formula_sum   'Zr48 Rh24 N12'
_cell_volume   1456.04
_cell_formula_units_Z   12
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  9  0.01  0.03  0.75  1.0
  Zr  Zr1  9  0.03  0.01  0.78  1.0
  Zr  Zr2  9  0.04  0.08  0.28  1.0
  Zr  Zr3  9  0.09  0.19  0.79  1.0
  Zr  Zr4  9  0.19  0.09  0.97  1.0
  Zr  Zr5  3  0.0  0.0  0.2  1.0
  Rh  Rh6  9  0.09  0.18  0.69  1.0
  Rh  Rh7  9  0.18  0.09  0.72  1.0
  Rh  Rh8  3  0.0  0.0  0.51  1.0
  Rh  Rh9  3  0.0  0.0  0.9  1.0
  N  N10  9  0.08  0.04  0.36  1.0
  N  N11  3  0.0  0.0  0.44  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Rh Rh Rh Rh Rh Rh Rh Rh N N N N