# generated using pymatgen
data_Th10Sn6PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.50084130
_cell_length_b   9.50084132
_cell_length_c   6.61255667
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th10Sn6PCl
_chemical_formula_sum   'Th10 Sn6 P1 Cl1'
_cell_volume   516.92102685
_cell_formula_units_Z   1
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
  Th  Th0  1  0.66666700  0.33333300  0.00000000  1.0
  Th  Th1  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th2  1  0.33333300  0.66666700  0.50000000  1.0
  Th  Th3  1  0.66666700  0.33333300  0.50000000  1.0
  Th  Th4  1  0.73929580  0.73929580  0.73819137  1.0
  Th  Th5  1  0.26070420  0.00000000  0.73819137  1.0
  Th  Th6  1  0.00000000  0.26070420  0.73819137  1.0
  Th  Th7  1  0.26070420  0.26070420  0.26180863  1.0
  Th  Th8  1  0.73929580  1.00000000  0.26180863  1.0
  Th  Th9  1  1.00000000  0.73929580  0.26180863  1.0
  Sn  Sn10  1  0.38840373  0.38840373  0.75257696  1.0
  Sn  Sn11  1  0.61159627  1.00000000  0.75257696  1.0
  Sn  Sn12  1  1.00000000  0.61159627  0.75257696  1.0
  Sn  Sn13  1  0.61159627  0.61159627  0.24742304  1.0
  Sn  Sn14  1  0.38840373  0.00000000  0.24742304  1.0
  Sn  Sn15  1  0.00000000  0.38840373  0.24742304  1.0
  P  P16  1  0.00000000  0.00000000  0.50000000  1.0
  Cl  Cl17  1  0.00000000  0.00000000  0.00000000  1.0