data_Te4PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   13.31
_cell_length_c   12.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te4PIr
_chemical_formula_sum   'Te16 P4 Ir4'
_cell_volume   642.77
_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
  Te  Te8  1  0.0  0.92  0.3  1.0
  Te  Te9  1  0.01  0.4  0.31  1.0
  Te  Te10  1  0.0  0.43  0.58  1.0
  Te  Te11  1  0.01  0.89  0.57  1.0
  Te  Te12  1  0.0  0.65  0.32  1.0
  Te  Te13  1  0.01  0.67  0.33  1.0
  Te  Te14  1  0.0  0.31  0.42  1.0
  Te  Te15  1  0.01  0.01  0.41  1.0
  Te  Te16  1  0.0  0.53  0.66  1.0
  Te  Te17  1  0.01  0.79  0.67  1.0
  Te  Te18  1  0.0  0.13  0.49  1.0
  Te  Te19  1  0.01  0.18  0.49  1.0
  Te  Te20  1  0.0  0.3  0.59  1.0
  Te  Te21  1  0.01  0.02  0.59  1.0
  Te  Te22  1  0.0  0.08  0.43  1.0
  Te  Te23  1  0.01  0.24  0.42  1.0
  P  P4  1  0.0  0.06  0.94  1.0
  P  P5  1  0.01  0.26  0.93  1.0
  P  P6  1  0.0  1.0  0.98  1.0
  P  P7  1  0.01  0.32  0.99  1.0
  Ir  Ir0  1  0.0  1.0  0.0  1.0
  Ir  Ir1  1  0.01  0.31  1.0  1.0
  Ir  Ir2  1  0.0  0.88  0.97  1.0
  Ir  Ir3  1  0.01  0.43  0.98  1.0

data_Te4PIr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   12.02
_cell_length_b   4.02
_cell_length_c   13.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Te4PIr
_chemical_formula_sum   'Te16 P4 Ir4'
_cell_volume   642.77
_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
  Te  Te0  1  0.33  0.0  0.21  1.0
  Te  Te1  1  0.34  0.0  0.47  1.0
  Te  Te2  1  0.41  0.0  0.98  1.0
  Te  Te3  1  0.41  0.0  0.7  1.0
  Te  Te4  1  0.42  0.0  0.57  1.0
  Te  Te5  1  0.43  0.0  0.11  1.0
  Te  Te6  1  0.51  0.0  0.87  1.0
  Te  Te7  1  0.51  0.0  0.82  1.0
  Te  Te8  1  0.57  0.0  0.92  1.0
  Te  Te9  1  0.58  0.0  0.76  1.0
  Te  Te10  1  0.58  0.0  0.69  1.0
  Te  Te11  1  0.59  0.0  0.99  1.0
  Te  Te12  1  0.67  0.0  0.33  1.0
  Te  Te13  1  0.68  0.0  0.35  1.0
  Te  Te14  1  0.69  0.0  0.6  1.0
  Te  Te15  1  0.7  0.0  0.08  1.0
  P  P16  1  0.01  0.0  0.68  1.0
  P  P17  1  0.02  0.0  0.0  1.0
  P  P18  1  0.06  0.0  0.94  1.0
  P  P19  1  0.07  0.0  0.74  1.0
  Ir  Ir20  1  0.0  0.0  0.69  1.0
  Ir  Ir21  1  0.02  0.0  0.57  1.0
  Ir  Ir22  1  0.03  0.0  0.12  1.0
  Ir  Ir23  1  1.0  0.0  0.0  1.0

Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te P P P P Ir Ir Ir Ir