data_TaTeP9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   9.11
_cell_length_c   9.33
_cell_angle_alpha   80.57
_cell_angle_beta   83.36
_cell_angle_gamma   89.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTeP9
_chemical_formula_sum   'Ta2 Te2 P18'
_cell_volume   414.77
_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  Ta18  1  0.03  0.32  0.47  1.0
  Ta  Ta19  1  0.11  0.31  0.67  1.0
  Te  Te20  1  0.68  0.33  0.49  1.0
  Te  Te21  1  0.46  0.29  0.65  1.0
  P  P0  1  0.57  0.71  0.52  1.0
  P  P1  1  0.57  0.92  0.62  1.0
  P  P2  1  0.86  0.22  0.37  1.0
  P  P3  1  0.28  0.41  0.77  1.0
  P  P4  1  0.26  0.07  0.07  1.0
  P  P5  1  0.88  0.55  0.07  1.0
  P  P6  1  0.65  0.1  0.01  1.0
  P  P7  1  0.49  0.53  0.14  1.0
  P  P8  1  0.87  0.79  0.65  1.0
  P  P9  1  0.27  0.84  0.49  1.0
  P  P10  1  0.53  0.73  0.43  1.0
  P  P11  1  0.61  0.9  0.71  1.0
  P  P12  1  0.91  0.83  0.42  1.0
  P  P13  1  0.23  0.79  0.72  1.0
  P  P14  1  0.83  0.35  0.99  1.0
  P  P15  1  0.31  0.28  0.15  1.0
  P  P16  1  0.01  0.45  0.66  1.0
  P  P17  1  0.13  0.18  0.48  1.0

data_TaTeP9
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.98
_cell_length_b   9.11
_cell_length_c   9.33
_cell_angle_alpha   80.57
_cell_angle_beta   83.36
_cell_angle_gamma   89.5
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaTeP9
_chemical_formula_sum   'Ta2 Te2 P18'
_cell_volume   414.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.04  1.0  0.6  1.0
  Te  Te1  2  0.39  0.98  0.58  1.0
  P  P2  2  0.06  0.86  0.41  1.0
  P  P3  2  0.16  0.48  0.65  1.0
  P  P4  2  0.19  0.76  0.0  1.0
  P  P5  2  0.2  0.53  0.42  1.0
  P  P6  2  0.21  0.1  0.7  1.0
  P  P7  2  0.24  0.97  0.08  1.0
  P  P8  2  0.42  0.22  0.06  1.0
  P  P9  2  0.46  0.42  0.36  1.0
  P  P10  2  0.5  0.39  0.45  1.0

Ta Ta Te Te P P P P P P P P P P P P P P P P P P
Ta Ta Te Te P P P P P P P P P P P P P P P P P P 0 21 o o o 0 2 - o o 0 6 - o o 1 20 o o o 1 3 o o o 1 7 o o o 2 3 o o o 2 6 o o o 3 7 o o o 4 14 o o o 4 13 o o o 4 16 o o o 5 15 o o o 5 12 o o o 5 17 o o o 6 21 + o o 7 20 o o o 8 10 o o o 8 19 o o o 9 18 o o - 9 11 o o o 10 18 o o - 11 19 o o o 12 15 o o o 12 16 o o o 12 17 + o o 13 16 - o o 13 17 o o o 13 14 o o o 14 16 o o o 15 17 o o o 