# generated using pymatgen
data_Th2AsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27404400
_cell_length_b   3.27404400
_cell_length_c   15.81215600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2AsSe2
_chemical_formula_sum   'Th2 As1 Se2'
_cell_volume   169.49625759
_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  0.50000000  0.50000000  0.18754100  1.0
  Th  Th1  1  0.50000000  0.50000000  0.81245900  1.0
  As  As2  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se3  1  0.50000000  0.50000000  0.63853500  1.0
  Se  Se4  1  0.50000000  0.50000000  0.36146500  1.0