data_CsTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18
_cell_length_b   7.34
_cell_length_c   14.27
_cell_angle_alpha   90.0
_cell_angle_beta   93.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTe4
_chemical_formula_sum   'Cs4 Te16'
_cell_volume   855.12
_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
  Cs  Cs0  1  0.86  0.46  0.02  1.0
  Cs  Cs1  1  0.41  0.56  0.14  1.0
  Cs  Cs2  1  0.87  0.79  0.11  1.0
  Cs  Cs3  1  0.42  0.89  0.23  1.0
  Te  Te4  1  0.64  0.88  0.67  1.0
  Te  Te5  1  0.19  0.79  0.79  1.0
  Te  Te6  1  0.67  0.54  0.04  1.0
  Te  Te7  1  0.98  0.43  0.79  1.0
  Te  Te8  1  0.23  0.13  0.16  1.0
  Te  Te9  1  0.53  0.24  0.91  1.0
  Te  Te10  1  0.73  0.1  0.95  1.0
  Te  Te11  1  1.0  0.42  0.17  1.0
  Te  Te12  1  0.28  0.92  0.08  1.0
  Te  Te13  1  0.55  0.25  0.29  1.0
  Te  Te14  1  0.75  0.1  0.33  1.0
  Te  Te15  1  0.06  0.21  0.09  1.0
  Te  Te16  1  0.31  0.91  0.46  1.0
  Te  Te17  1  0.61  0.8  0.21  1.0
  Te  Te18  1  0.09  0.55  0.45  1.0
  Te  Te19  1  0.65  0.47  0.58  1.0

data_CsTe4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.34
_cell_length_b   8.18
_cell_length_c   14.27
_cell_angle_alpha   93.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CsTe4
_chemical_formula_sum   'Cs4 Te16'
_cell_volume   855.12
_cell_formula_units_Z   4
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
  Cs  Cs0  2  0.11  0.23  0.48  1.0
  Cs  Cs1  2  0.21  0.78  0.61  1.0
  Te  Te2  2  0.12  0.55  0.17  1.0
  Te  Te3  2  0.13  0.97  0.59  1.0
  Te  Te4  2  0.21  0.99  0.05  1.0
  Te  Te5  2  0.24  0.67  0.83  1.0
  Te  Te6  2  0.25  0.64  0.45  1.0
  Te  Te7  2  0.42  0.09  0.33  1.0
  Te  Te8  2  0.43  0.11  0.71  1.0
  Te  Te9  2  0.46  0.58  0.54  1.0

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