# generated using pymatgen
data_CsTh2(Te2Se)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.72373945
_cell_length_b   12.72373926
_cell_length_c   6.02018938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   160.15824774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTh2(Te2Se)2
_chemical_formula_sum   'Cs1 Th2 Te4 Se2'
_cell_volume   330.81221854
_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
  Cs  Cs0  1  0.49787007  0.50212993  0.00000000  1.0
  Th  Th1  1  0.69020065  0.30979935  0.00000000  1.0
  Th  Th2  1  0.30966424  0.69033576  0.50000000  1.0
  Te  Te3  1  0.11620421  0.88379579  0.25064521  1.0
  Te  Te4  1  0.88334271  0.11665729  0.25097215  1.0
  Te  Te5  1  0.11620421  0.88379579  0.74935479  1.0
  Te  Te6  1  0.88334271  0.11665729  0.74902785  1.0
  Se  Se7  1  0.26936885  0.73063115  0.00000000  1.0
  Se  Se8  1  0.73050236  0.26949764  0.50000000  1.0