data_Ta4Co2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.2
_cell_length_b   8.2
_cell_length_c   8.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4Co2N
_chemical_formula_sum   'Ta16 Co8 N4'
_cell_volume   389.49
_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
  Ta  Ta12  1  0.25  0.25  0.25  1.0
  Ta  Ta13  1  0.35  0.35  0.25  1.0
  Ta  Ta14  1  0.25  0.35  0.35  1.0
  Ta  Ta15  1  0.8  0.8  0.43  1.0
  Ta  Ta16  1  0.43  0.8  0.8  1.0
  Ta  Ta17  1  0.8  0.17  0.8  1.0
  Ta  Ta18  1  0.9  0.07  0.9  1.0
  Ta  Ta19  1  0.73  0.9  0.9  1.0
  Ta  Ta20  1  0.9  0.9  0.73  1.0
  Ta  Ta21  1  0.35  0.25  0.35  1.0
  Ta  Ta22  1  0.17  0.8  0.8  1.0
  Ta  Ta23  1  0.8  0.8  0.17  1.0
  Ta  Ta24  1  0.8  0.43  0.8  1.0
  Ta  Ta25  1  0.9  0.73  0.9  1.0
  Ta  Ta26  1  0.07  0.9  0.9  1.0
  Ta  Ta27  1  0.9  0.9  0.07  1.0
  Co  Co0  1  0.76  0.83  0.76  1.0
  Co  Co1  1  0.66  0.73  0.73  1.0
  Co  Co2  1  0.73  0.73  0.66  1.0
  Co  Co3  1  0.66  0.66  0.66  1.0
  Co  Co4  1  0.83  0.83  0.83  1.0
  Co  Co5  1  0.76  0.76  0.83  1.0
  Co  Co6  1  0.83  0.76  0.76  1.0
  Co  Co7  1  0.73  0.66  0.73  1.0
  N  N8  1  0.35  0.45  0.35  1.0
  N  N9  1  0.35  0.35  0.45  1.0
  N  N10  1  0.45  0.35  0.35  1.0
  N  N11  1  0.45  0.45  0.45  1.0

data_Ta4Co2N
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.2
_cell_length_b   8.2
_cell_length_c   20.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ta4Co2N
_chemical_formula_sum   'Ta48 Co24 N12'
_cell_volume   1168.47
_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
  Ta  Ta0  9  0.06  0.11  0.05  1.0
  Ta  Ta1  9  0.07  0.03  0.69  1.0
  Ta  Ta2  9  0.09  0.54  0.75  1.0
  Ta  Ta3  9  0.11  0.06  0.16  1.0
  Ta  Ta4  9  0.21  0.42  0.99  1.0
  Ta  Ta5  3  0.0  0.0  0.75  1.0
  Co  Co6  9  0.02  0.04  0.21  1.0
  Co  Co7  9  0.04  0.02  0.29  1.0
  Co  Co8  3  0.0  0.0  0.17  1.0
  Co  Co9  3  0.0  0.0  0.34  1.0
  N  N10  9  0.03  0.07  0.62  1.0
  N  N11  3  0.0  0.0  0.55  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Co Co Co Co Co Co Co Co N N N N
Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Co Co Co Co Co Co Co Co N N N N 0 9 o o o 0 2 o o o 0 1 o o o 1 9 o o o 1 2 o o o 2 9 o o o 3 19 o o o 3 18 o o o 4 19 o o o 4 17 o o o 5 6 o o o 6 15 o - + 6 14 + - o 7 20 o o o 8 20 o o o 10 14 o o o 11 15 o o o 12 19 o o o 12 23 o o o 13 20 o o o 14 15 - o + 16 21 o o o 16 22 o o o 16 20 o o o 17 23 o o o 17 18 o o o 17 19 o o o 18 23 o o o 18 19 o o o 19 23 o o o 20 22 o o o 20 21 o o o 21 22 o o o 24 25 o o o 24 26 o o o 24 27 o o o 25 26 o o o 25 27 o o o 26 27 o o o 