# generated using pymatgen
data_LuPa9(Sn3As)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18183487
_cell_length_b   9.24381598
_cell_length_c   6.22457217
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.22355114
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuPa9(Sn3As)2
_chemical_formula_sum   'Lu1 Pa9 Sn6 As2'
_cell_volume   456.49726486
_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
  Lu  Lu0  1  1.00000000  0.73876031  0.25000000  1.0
  Pa  Pa1  1  0.66335535  0.32805439  0.99817507  1.0
  Pa  Pa2  1  0.33664465  0.66470005  0.99817507  1.0
  Pa  Pa3  1  0.33664465  0.66470005  0.50182493  1.0
  Pa  Pa4  1  0.66335535  0.32805439  0.50182493  1.0
  Pa  Pa5  1  0.73679044  0.73698906  0.75000000  1.0
  Pa  Pa6  1  0.26320956  0.00019862  0.75000000  1.0
  Pa  Pa7  1  0.00000000  0.26630073  0.75000000  1.0
  Pa  Pa8  1  0.26910149  0.26898922  0.25000000  1.0
  Pa  Pa9  1  0.73089851  0.99988773  0.25000000  1.0
  Sn  Sn10  1  0.38629260  0.38456388  0.75000000  1.0
  Sn  Sn11  1  0.61370740  0.99827128  0.75000000  1.0
  Sn  Sn12  1  1.00000000  0.61568240  0.75000000  1.0
  Sn  Sn13  1  0.62229565  0.61693272  0.25000000  1.0
  Sn  Sn14  1  0.37770435  0.99463706  0.25000000  1.0
  Sn  Sn15  1  0.00000000  0.39019462  0.25000000  1.0
  As  As16  1  0.00000000  0.00154175  0.00264480  1.0
  As  As17  1  0.00000000  0.00154175  0.49735520  1.0