# generated using pymatgen
data_PaTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35426035
_cell_length_b   7.97147304
_cell_length_c   9.30545652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaTeSe
_chemical_formula_sum   'Pa4 Te4 Se4'
_cell_volume   322.99117661
_cell_formula_units_Z   4
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
  Pa  Pa0  1  0.25000000  0.27809521  0.63144984  1.0
  Pa  Pa1  1  0.25000000  0.77809521  0.86855016  1.0
  Pa  Pa2  1  0.75000000  0.72190479  0.36855016  1.0
  Pa  Pa3  1  0.75000000  0.22190479  0.13144984  1.0
  Te  Te4  1  0.25000000  0.03082351  0.34135861  1.0
  Te  Te5  1  0.25000000  0.53082351  0.15864139  1.0
  Te  Te6  1  0.75000000  0.96917649  0.65864139  1.0
  Te  Te7  1  0.75000000  0.46917649  0.84135861  1.0
  Se  Se8  1  0.25000000  0.14235899  0.92979425  1.0
  Se  Se9  1  0.25000000  0.64235899  0.57020575  1.0
  Se  Se10  1  0.75000000  0.85764101  0.07020575  1.0
  Se  Se11  1  0.75000000  0.35764101  0.42979425  1.0