data_Tl4SnP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   13.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4SnP3
_chemical_formula_sum   'Tl16 Sn4 P12'
_cell_volume   818.87
_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
  Tl  Tl16  1  0.32  0.8  0.34  1.0
  Tl  Tl17  1  0.52  0.03  0.34  1.0
  Tl  Tl18  1  0.95  0.4  0.34  1.0
  Tl  Tl19  1  0.89  0.44  0.34  1.0
  Tl  Tl20  1  0.44  0.89  0.33  1.0
  Tl  Tl21  1  0.4  0.95  0.33  1.0
  Tl  Tl22  1  0.8  0.32  0.33  1.0
  Tl  Tl23  1  0.03  0.52  0.33  1.0
  Tl  Tl24  1  0.44  0.95  0.99  1.0
  Tl  Tl25  1  0.4  0.89  0.99  1.0
  Tl  Tl26  1  0.8  0.52  0.99  1.0
  Tl  Tl27  1  0.03  0.32  0.99  1.0
  Tl  Tl28  1  0.32  0.03  0.01  1.0
  Tl  Tl29  1  0.52  0.8  0.01  1.0
  Tl  Tl30  1  0.95  0.44  0.01  1.0
  Tl  Tl31  1  0.89  0.4  0.01  1.0
  Sn  Sn12  1  0.92  0.0  0.73  1.0
  Sn  Sn13  1  0.0  0.92  0.94  1.0
  Sn  Sn14  1  0.0  0.92  0.6  1.0
  Sn  Sn15  1  0.92  0.0  0.4  1.0
  P  P0  1  0.92  0.0  0.76  1.0
  P  P1  1  0.0  0.92  0.24  1.0
  P  P2  1  0.0  0.92  0.58  1.0
  P  P3  1  0.92  0.0  0.09  1.0
  P  P4  1  0.28  0.56  0.33  1.0
  P  P5  1  0.56  0.28  0.33  1.0
  P  P6  1  0.36  0.36  0.33  1.0
  P  P7  1  0.48  0.48  0.33  1.0
  P  P8  1  0.48  0.36  1.0  1.0
  P  P9  1  0.36  0.48  1.0  1.0
  P  P10  1  0.56  0.56  1.0  1.0
  P  P11  1  0.28  0.28  1.0  1.0

data_Tl4SnP3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   13.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4SnP3
_chemical_formula_sum   'Tl16 Sn4 P12'
_cell_volume   818.87
_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
  Tl  Tl0  1  0.03  0.32  0.99  1.0
  Tl  Tl1  1  0.03  0.52  0.33  1.0
  Tl  Tl2  1  0.32  0.03  0.01  1.0
  Tl  Tl3  1  0.32  0.8  0.34  1.0
  Tl  Tl4  1  0.4  0.89  0.99  1.0
  Tl  Tl5  1  0.4  0.95  0.33  1.0
  Tl  Tl6  1  0.44  0.89  0.33  1.0
  Tl  Tl7  1  0.44  0.95  0.99  1.0
  Tl  Tl8  1  0.52  0.03  0.34  1.0
  Tl  Tl9  1  0.52  0.8  0.01  1.0
  Tl  Tl10  1  0.8  0.32  0.33  1.0
  Tl  Tl11  1  0.8  0.52  0.99  1.0
  Tl  Tl12  1  0.89  0.4  0.01  1.0
  Tl  Tl13  1  0.89  0.44  0.34  1.0
  Tl  Tl14  1  0.95  0.4  0.34  1.0
  Tl  Tl15  1  0.95  0.44  0.01  1.0
  Sn  Sn16  1  0.0  0.92  0.6  1.0
  Sn  Sn17  1  0.0  0.92  0.94  1.0
  Sn  Sn18  1  0.92  0.0  0.4  1.0
  Sn  Sn19  1  0.92  0.0  0.73  1.0
  P  P20  1  0.0  0.92  0.24  1.0
  P  P21  1  0.0  0.92  0.58  1.0
  P  P22  1  0.28  0.28  1.0  1.0
  P  P23  1  0.28  0.56  0.33  1.0
  P  P24  1  0.36  0.36  0.33  1.0
  P  P25  1  0.36  0.48  1.0  1.0
  P  P26  1  0.48  0.36  1.0  1.0
  P  P27  1  0.48  0.48  0.33  1.0
  P  P28  1  0.56  0.28  0.33  1.0
  P  P29  1  0.56  0.56  1.0  1.0
  P  P30  1  0.92  0.0  0.09  1.0
  P  P31  1  0.92  0.0  0.76  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Sn Sn Sn Sn P P P P P P P P P P P P