data_TaCoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   7.76
_cell_length_c   24.66
_cell_angle_alpha   92.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoTe2
_chemical_formula_sum   'Ta4 Co4 Te8'
_cell_volume   1210.62
_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  Ta0  1  0.98  0.3  0.09  1.0
  Ta  Ta1  1  0.02  0.7  0.1  1.0
  Ta  Ta2  1  0.52  0.8  0.09  1.0
  Ta  Ta3  1  0.48  0.2  0.1  1.0
  Co  Co4  1  0.15  0.01  0.06  1.0
  Co  Co5  1  0.85  0.99  0.13  1.0
  Co  Co6  1  0.35  0.51  0.06  1.0
  Co  Co7  1  0.65  0.49  0.13  1.0
  Te  Te8  1  0.75  0.53  0.02  1.0
  Te  Te9  1  0.25  0.97  0.17  1.0
  Te  Te10  1  0.25  0.47  0.17  1.0
  Te  Te11  1  0.25  0.75  1.0  1.0
  Te  Te12  1  0.75  0.75  0.19  1.0
  Te  Te13  1  0.75  0.03  0.02  1.0
  Te  Te14  1  0.75  0.25  0.19  1.0
  Te  Te15  1  0.25  0.25  1.0  1.0

Ta Ta Ta Ta Co Co Co Co Te Te Te Te Te Te Te Te 0 13 o o o 0 14 o o o 0 3 o o o 0 3 + o o 0 5 o - o 0 8 o o o 0 7 o o o 0 4 + o o 0 15 + o - 0 6 + o o 0 10 + o o 0 1 + o o 1 8 - o o 1 7 - o o 1 2 - o o 1 2 o o o 1 12 - o o 1 5 - o o 1 6 o o o 1 10 o o o 1 4 o + o 1 11 o o - 1 9 o o o 2 6 o o o 2 11 o o - 2 4 o + o 2 3 o + o 2 9 o o o 2 8 o o o 2 12 o o o 2 7 o o o 2 13 o + o 2 5 o o o 3 4 o o o 3 9 o - o 3 6 o o o 3 15 o o - 3 10 o o o 3 13 o o o 3 5 o - o 3 14 o o o 3 7 o o o 4 5 - - o 4 13 - o o 4 11 o - - 4 9 o - o 4 15 o o - 5 12 o o o 5 13 o + o 5 14 o + o 5 9 + o o 6 15 o o - 6 10 o o o 6 11 o o - 6 7 o o o 6 8 o o o 7 10 o o o 7 14 o o o 7 8 o o o 7 12 o o o 
data_TaCoTe2
_symmetry_space_group_name_H-M   P2_1/c
_cell_length_a   24.66
_cell_length_b   6.33
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   92.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   14
_chemical_formula_structural   TaCoTe2
_chemical_formula_sum   'Ta4 Co4 Te8'
_cell_volume   1210.62
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z+1/2'
  4  'x, -y+1/2, z+1/2'
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  4  0.0  0.02  0.7  1.0
  Co  Co1  4  0.03  0.65  0.49  1.0
  Te  Te2  4  0.07  0.25  0.97  1.0
  Te  Te3  4  0.09  0.75  0.75  1.0
