data_TaTe4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   12.56
_cell_length_c   25.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTe4Ir
_chemical_formula_sum   'Ta2 Te8 Ir2'
_cell_volume   1199.26
_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  0.27  0.27  1.0
  Ta  Ta1  1  0.5  0.95  0.28  1.0
  Te  Te2  1  0.5  0.32  0.2  1.0
  Te  Te3  1  0.5  0.81  0.2  1.0
  Te  Te4  1  0.0  0.07  0.22  1.0
  Te  Te5  1  0.0  0.56  0.22  1.0
  Te  Te6  1  0.5  0.65  0.33  1.0
  Te  Te7  1  0.5  0.15  0.34  1.0
  Te  Te8  1  0.0  0.41  0.35  1.0
  Te  Te9  1  0.0  0.9  0.36  1.0
  Ir  Ir10  1  0.0  0.75  0.28  1.0
  Ir  Ir11  1  0.5  0.46  0.28  1.0

Ta Ta Te Te Te Te Te Te Te Te Ir Ir 0 7 - o o 0 7 o o o 0 2 - o o 0 2 o o o 0 11 - o o 0 11 o o o 0 4 o o o 0 8 o o o 1 10 o o o 1 10 + o o 1 9 o o o 1 9 + o o 1 4 o + o 1 4 + + o 1 3 o o o 1 7 o + o 2 11 o o o 3 10 o o o 3 10 + o o 5 11 - o o 5 11 o o o 5 10 o o o 6 10 o o o 6 10 + o o 6 11 o o o 8 11 - o o 8 11 o o o 9 10 o o o 
data_TaTe4Ir
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   12.56
_cell_length_b   3.81
_cell_length_c   25.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   TaTe4Ir
_chemical_formula_sum   'Ta2 Te8 Ir2'
_cell_volume   1199.26
_cell_formula_units_Z   2
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'
  4  'x, -y+1/2, 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  2  0.16  0.75  1.0  1.0
  Te  Te1  2  0.04  0.25  0.06  1.0
  Te  Te2  2  0.21  0.25  0.92  1.0
  Te  Te3  2  0.3  0.75  0.08  1.0
  Te  Te4  2  0.46  0.75  0.95  1.0
  Ir  Ir5  2  0.36  0.25  0.0  1.0
