data_CaTaCo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   10.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaCo6
_chemical_formula_sum   'Ca4 Ta4 Co24'
_cell_volume   423.02
_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
  Ca  Ca0  1  0.74  0.29  0.0  1.0
  Ca  Ca1  1  0.74  0.71  0.0  1.0
  Ca  Ca2  1  0.0  0.0  0.93  1.0
  Ca  Ca3  1  0.0  0.0  0.75  1.0
  Ta  Ta28  1  0.74  0.32  0.34  1.0
  Ta  Ta29  1  0.74  0.68  0.34  1.0
  Ta  Ta30  1  0.74  0.0  0.95  1.0
  Ta  Ta31  1  0.74  0.0  0.74  1.0
  Co  Co4  1  0.74  0.44  0.9  1.0
  Co  Co5  1  0.96  0.73  0.26  1.0
  Co  Co6  1  0.51  0.27  0.26  1.0
  Co  Co7  1  0.74  0.56  0.9  1.0
  Co  Co8  1  0.51  0.73  0.26  1.0
  Co  Co9  1  0.96  0.27  0.26  1.0
  Co  Co10  1  0.0  0.0  0.34  1.0
  Co  Co11  1  0.54  0.36  0.6  1.0
  Co  Co12  1  0.54  0.64  0.6  1.0
  Co  Co13  1  0.74  0.44  0.78  1.0
  Co  Co14  1  0.94  0.64  0.08  1.0
  Co  Co15  1  0.54  0.36  0.08  1.0
  Co  Co16  1  0.74  0.56  0.78  1.0
  Co  Co17  1  0.54  0.64  0.08  1.0
  Co  Co18  1  0.94  0.36  0.08  1.0
  Co  Co19  1  0.0  0.0  0.0  1.0
  Co  Co20  1  0.51  0.27  0.42  1.0
  Co  Co21  1  0.51  0.73  0.42  1.0
  Co  Co22  1  0.74  0.0  0.34  1.0
  Co  Co23  1  0.94  0.36  0.6  1.0
  Co  Co24  1  0.94  0.64  0.6  1.0
  Co  Co25  1  0.74  0.0  0.0  1.0
  Co  Co26  1  0.96  0.27  0.42  1.0
  Co  Co27  1  0.96  0.73  0.42  1.0

data_CaTaCo6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   10.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaCo6
_chemical_formula_sum   'Ca4 Ta4 Co24'
_cell_volume   423.02
_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
  Ca  Ca0  1  0.0  0.0  0.75  1.0
  Ca  Ca1  1  0.0  0.0  0.93  1.0
  Ca  Ca2  1  0.74  0.29  0.0  1.0
  Ca  Ca3  1  0.74  0.71  0.0  1.0
  Ta  Ta4  1  0.74  0.0  0.74  1.0
  Ta  Ta5  1  0.74  0.0  0.95  1.0
  Ta  Ta6  1  0.74  0.32  0.34  1.0
  Ta  Ta7  1  0.74  0.68  0.34  1.0
  Co  Co8  1  0.0  0.0  0.0  1.0
  Co  Co9  1  0.0  0.0  0.34  1.0
  Co  Co10  1  0.51  0.27  0.26  1.0
  Co  Co11  1  0.51  0.27  0.42  1.0
  Co  Co12  1  0.51  0.73  0.26  1.0
  Co  Co13  1  0.51  0.73  0.42  1.0
  Co  Co14  1  0.54  0.36  0.08  1.0
  Co  Co15  1  0.54  0.36  0.6  1.0
  Co  Co16  1  0.54  0.64  0.08  1.0
  Co  Co17  1  0.54  0.64  0.6  1.0
  Co  Co18  1  0.74  0.0  0.0  1.0
  Co  Co19  1  0.74  0.0  0.34  1.0
  Co  Co20  1  0.74  0.44  0.78  1.0
  Co  Co21  1  0.74  0.44  0.9  1.0
  Co  Co22  1  0.74  0.56  0.78  1.0
  Co  Co23  1  0.74  0.56  0.9  1.0
  Co  Co24  1  0.94  0.36  0.08  1.0
  Co  Co25  1  0.94  0.36  0.6  1.0
  Co  Co26  1  0.94  0.64  0.08  1.0
  Co  Co27  1  0.94  0.64  0.6  1.0
  Co  Co28  1  0.96  0.27  0.26  1.0
  Co  Co29  1  0.96  0.27  0.42  1.0
  Co  Co30  1  0.96  0.73  0.26  1.0
  Co  Co31  1  0.96  0.73  0.42  1.0

Ca Ca Ca Ca Ta Ta Ta Ta Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co
Ca Ca Ca Ca Ta Ta Ta Ta Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co 0 8 o o - 0 22 o o o 0 19 o o o 1 21 o o o 1 11 o o - 1 18 o o o 2 23 o o + 2 3 o o o 3 7 - o o 4 10 o o o 4 24 o o o 4 13 o o o 4 30 o o o 4 26 o o o 5 12 o o o 5 25 o o o 5 9 o o o 5 31 o o o 5 14 + + o 5 26 o + o 6 29 o o + 8 11 o o o 9 14 + + o 9 31 o o o 9 18 o o o 10 24 o o o 10 19 o o o 12 21 o o o 12 26 o + o 12 25 o o o 13 26 o o o 13 22 o o o 13 14 + o o 13 30 o o o 14 30 - o o 14 26 - o o 14 31 - - o 15 16 o o o 15 24 o o o 15 17 o o o 16 25 o o o 17 20 o o o 18 22 o o o 19 21 o o o 20 28 o o o 25 26 o + o 26 30 o o o 27 28 o o o 27 30 o o o 28 31 o o o 