# generated using pymatgen
data_Th2PSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34397800
_cell_length_b   3.34397800
_cell_length_c   14.90571400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2PSe2
_chemical_formula_sum   'Th2 P1 Se2'
_cell_volume   166.67850911
_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  0.18786900  1.0
  Th  Th1  1  0.50000000  0.50000000  0.81213100  1.0
  P  P2  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se3  1  0.50000000  0.50000000  0.62785100  1.0
  Se  Se4  1  0.50000000  0.50000000  0.37214900  1.0