# generated using pymatgen
data_Ca9Tb(Sn3H)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40751650
_cell_length_b   9.40751665
_cell_length_c   9.42042621
_cell_angle_alpha   128.71226213
_cell_angle_beta   128.71226681
_cell_angle_gamma   75.47267759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Tb(Sn3H)2
_chemical_formula_sum   'Ca9 Tb1 Sn6 H2'
_cell_volume   493.96164820
_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  0.49864518  0.50261184  0.00099100  1.0
  Ca  Ca1  1  0.00261184  0.99864518  0.00099100  1.0
  Ca  Ca2  1  0.18555093  0.68555093  0.17317760  1.0
  Ca  Ca3  1  0.00934528  0.18547766  0.49839793  1.0
  Ca  Ca4  1  0.68547766  0.50934528  0.49839793  1.0
  Ca  Ca5  1  0.48904105  0.98904105  0.17969674  1.0
  Ca  Ca6  1  0.81167356  0.31167356  0.82305360  1.0
  Ca  Ca7  1  0.98670971  0.81216161  0.49778350  1.0
  Ca  Ca8  1  0.31216161  0.48670971  0.49778350  1.0
  Tb  Tb9  1  0.51568952  0.01568952  0.82559526  1.0
  Sn  Sn10  1  0.25527683  0.24402490  0.99430960  1.0
  Sn  Sn11  1  0.74402490  0.75527683  0.99430960  1.0
  Sn  Sn12  1  0.87008704  0.37008704  0.24133772  1.0
  Sn  Sn13  1  0.12388692  0.62388692  0.74865105  1.0
  Sn  Sn14  1  0.37253442  0.12609772  0.50518232  1.0
  Sn  Sn15  1  0.62609772  0.87253442  0.50518232  1.0
  H  H16  1  0.26126336  0.76126336  0.51259872  1.0
  H  H17  1  0.74992246  0.24992246  0.50255963  1.0