# generated using pymatgen
data_Ca5Tb5(Pb3Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15374424
_cell_length_b   9.15374537
_cell_length_c   6.99170565
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.83827909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Tb5(Pb3Cl)2
_chemical_formula_sum   'Ca5 Tb5 Pb6 Cl2'
_cell_volume   508.17909344
_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
  Ca  Ca0  1  0.25221822  0.00107943  0.25000000  1.0
  Ca  Ca1  1  0.74546058  0.99861031  0.75000000  1.0
  Ca  Ca2  1  0.00107943  0.25221822  0.25000000  1.0
  Ca  Ca3  1  0.99861031  0.74546058  0.75000000  1.0
  Ca  Ca4  1  0.74717257  0.74717257  0.25000000  1.0
  Tb  Tb5  1  0.25550679  0.25550679  0.75000000  1.0
  Tb  Tb6  1  0.33325725  0.66766592  0.00139058  1.0
  Tb  Tb7  1  0.66766592  0.33325725  0.00139058  1.0
  Tb  Tb8  1  0.66766592  0.33325725  0.49860942  1.0
  Tb  Tb9  1  0.33325725  0.66766592  0.49860942  1.0
  Pb  Pb10  1  0.59981973  0.00024222  0.25000000  1.0
  Pb  Pb11  1  0.39736541  0.00330202  0.75000000  1.0
  Pb  Pb12  1  0.00024222  0.59981973  0.25000000  1.0
  Pb  Pb13  1  0.00330202  0.39736541  0.75000000  1.0
  Pb  Pb14  1  0.39858851  0.39858851  0.25000000  1.0
  Pb  Pb15  1  0.59674451  0.59674451  0.75000000  1.0
  Cl  Cl16  1  0.00102168  0.00102168  0.99664063  1.0
  Cl  Cl17  1  0.00102168  0.00102168  0.50335937  1.0