data_Ta6Cr3Co3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07
_cell_length_b   8.07
_cell_length_c   8.07
_cell_angle_alpha   120.16
_cell_angle_beta   119.9
_cell_angle_gamma   89.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Cr3Co3C2
_chemical_formula_sum   'Ta12 Cr6 Co6 C4'
_cell_volume   371.48
_cell_formula_units_Z   2
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  Ta0  1  0.0  0.04  0.82  1.0
  Ta  Ta1  1  0.03  0.0  0.05  1.0
  Ta  Ta2  1  0.58  0.46  0.57  1.0
  Ta  Ta3  1  0.45  0.58  0.28  1.0
  Ta  Ta4  1  0.58  0.62  0.57  1.0
  Ta  Ta5  1  0.45  0.42  0.28  1.0
  Ta  Ta6  1  0.0  0.0  0.61  1.0
  Ta  Ta7  1  0.0  0.0  0.65  1.0
  Ta  Ta8  1  0.48  0.57  0.42  1.0
  Ta  Ta9  1  0.54  0.47  0.13  1.0
  Ta  Ta10  1  0.46  0.47  0.13  1.0
  Ta  Ta11  1  0.57  0.57  0.42  1.0
  Cr  Cr12  1  0.0  0.01  0.74  1.0
  Cr  Cr13  1  0.03  0.03  0.03  1.0
  Cr  Cr14  1  0.04  0.04  0.84  1.0
  Cr  Cr15  1  0.99  0.0  0.55  1.0
  Cr  Cr16  1  0.0  0.29  0.41  1.0
  Cr  Cr17  1  0.0  0.8  0.41  1.0
  Co  Co18  1  0.75  0.04  0.19  1.0
  Co  Co19  1  0.25  0.04  0.19  1.0
  Co  Co20  1  0.03  0.81  0.29  1.0
  Co  Co21  1  0.0  0.23  0.0  1.0
  Co  Co22  1  0.24  0.0  0.25  1.0
  Co  Co23  1  0.78  0.04  0.54  1.0
  C  C24  1  0.03  0.98  0.7  1.0
  C  C25  1  0.03  0.02  0.7  1.0
  C  C26  1  0.03  0.0  0.85  1.0
  C  C27  1  0.02  0.0  0.85  1.0

data_Ta6Cr3Co3C2
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.05
_cell_length_b   8.07
_cell_length_c   8.07
_cell_angle_alpha   60.1
_cell_angle_beta   60.08
_cell_angle_gamma   60.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Cr3Co3C2
_chemical_formula_sum   'Ta12 Cr6 Co6 C4'
_cell_volume   371.48
_cell_formula_units_Z   2
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  Ta0  1  0.02  0.03  0.95  1.0
  Ta  Ta1  1  0.59  0.54  0.34  1.0
  Ta  Ta2  1  0.61  0.0  0.39  1.0
  Ta  Ta3  1  0.65  0.0  0.35  1.0
  Ta  Ta4  1  0.67  0.46  0.34  1.0
  Ta  Ta5  1  0.82  0.0  0.22  1.0
  Ta  Ta6  1  0.83  0.45  0.15  1.0
  Ta  Ta7  1  0.83  0.45  0.3  1.0
  Ta  Ta8  1  0.85  0.57  0.15  1.0
  Ta  Ta9  1  0.94  0.48  0.15  1.0
  Ta  Ta10  1  0.99  0.58  0.05  1.0
  Ta  Ta11  1  0.99  0.58  0.9  1.0
  Cr  Cr12  1  0.0  0.03  0.0  1.0
  Cr  Cr13  1  0.41  0.0  0.38  1.0
  Cr  Cr14  1  0.41  0.0  0.87  1.0
  Cr  Cr15  1  0.56  0.99  0.45  1.0
  Cr  Cr16  1  0.74  0.0  0.27  1.0
  Cr  Cr17  1  0.81  0.04  0.2  1.0
  Co  Co18  1  0.0  0.0  0.23  1.0
  Co  Co19  1  0.01  0.24  0.75  1.0
  Co  Co20  1  0.27  0.03  0.52  1.0
  Co  Co21  1  0.43  0.75  0.85  1.0
  Co  Co22  1  0.76  0.78  0.5  1.0
  Co  Co23  1  0.94  0.25  0.85  1.0
  C  C24  1  0.68  0.03  0.27  1.0
  C  C25  1  0.68  0.03  0.32  1.0
  C  C26  1  0.82  0.03  0.15  1.0
  C  C27  1  0.83  0.02  0.15  1.0

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