data_Ta3TeI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   26.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3TeI7
_chemical_formula_sum   'Ta3 Te1 I7'
_cell_volume   1320.04
_cell_formula_units_Z   1
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  0.26  0.13  0.15  1.0
  Ta  Ta1  1  0.87  0.74  0.15  1.0
  Ta  Ta2  1  0.87  0.13  0.15  1.0
  Te  Te3  1  0.0  0.0  0.23  1.0
  I  I4  1  0.17  0.83  0.07  1.0
  I  I5  1  0.17  0.34  0.07  1.0
  I  I6  1  0.66  0.83  0.07  1.0
  I  I7  1  0.67  0.33  0.09  1.0
  I  I8  1  0.5  1.0  0.2  1.0
  I  I9  1  0.5  0.5  0.2  1.0
  I  I10  1  0.0  0.5  0.2  1.0

Ta Ta Ta Te I I I I I I I 0 3 o o o 0 1 - - o 0 5 o o o 0 2 - o o 0 4 o - o 0 8 o - o 0 7 o o o 0 9 o o o 1 9 o o o 1 6 o o o 1 2 o + o 1 7 o o o 1 10 + o o 1 4 + o o 1 3 + + o 2 6 o - o 2 8 o - o 2 7 o o o 2 10 + o o 2 3 + o o 2 5 + o o 4 7 o + o 4 7 - o o 5 7 o o o 5 7 - o o 6 7 o o o 6 7 o + o 7 8 o - o 7 9 o o o 7 10 + o o 
data_Ta3TeI7
_symmetry_space_group_name_H-M   P3m1
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   26.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   156
_chemical_formula_structural   Ta3TeI7
_chemical_formula_sum   'Ta3 Te1 I7'
_cell_volume   1320.04
_cell_formula_units_Z   1
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'
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  3  0.26  0.13  0.15  1.0
  Te  Te1  1  0.0  0.0  0.23  1.0
  I  I2  3  0.0  0.5  0.2  1.0
  I  I3  3  0.17  0.34  0.07  1.0
  I  I4  1  0.67  0.33  0.09  1.0
