# generated using pymatgen
data_PbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01702774
_cell_length_b   6.01702774
_cell_length_c   6.01702774
_cell_angle_alpha   114.87155198
_cell_angle_beta   114.87155198
_cell_angle_gamma   99.13894493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbSe2
_chemical_formula_sum   'Pb2 Se4'
_cell_volume   163.71654310
_cell_formula_units_Z   2
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
  Pb  Pb0  1  0.25000100  0.25000100  -0.00000000  1.0
  Pb  Pb1  1  0.75000000  0.75000000  -0.00000000  1.0
  Se  Se2  1  0.62981673  0.12981773  0.75963347  1.0
  Se  Se3  1  0.37018227  0.87018227  0.24036553  1.0
  Se  Se4  1  0.87018227  0.62981673  0.50000000  1.0
  Se  Se5  1  0.12981773  0.37018327  0.50000000  1.0