# generated using pymatgen
data_CaPr4Sn3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44188751
_cell_length_b   9.44188806
_cell_length_c   9.44188842
_cell_angle_alpha   127.95613058
_cell_angle_beta   127.95613141
_cell_angle_gamma   76.69610369
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr4Sn3H
_chemical_formula_sum   'Ca2 Pr8 Sn6 H2'
_cell_volume   508.22954399
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Pr  Pr2  1  0.51491928  0.01491928  0.83046742  1.0
  Pr  Pr3  1  0.18445187  0.68445187  0.16953258  1.0
  Pr  Pr4  1  0.01491928  0.18445187  0.50000000  1.0
  Pr  Pr5  1  0.68445187  0.51491928  0.50000000  1.0
  Pr  Pr6  1  0.48508072  0.98508072  0.16953258  1.0
  Pr  Pr7  1  0.81554813  0.31554813  0.83046742  1.0
  Pr  Pr8  1  0.98508072  0.81554813  0.50000000  1.0
  Pr  Pr9  1  0.31554813  0.48508072  0.50000000  1.0
  Sn  Sn10  1  0.25000000  0.25000000  0.00000000  1.0
  Sn  Sn11  1  0.75000000  0.75000000  0.00000000  1.0
  Sn  Sn12  1  0.87059258  0.37059258  0.24118616  1.0
  Sn  Sn13  1  0.12940742  0.62940742  0.75881384  1.0
  Sn  Sn14  1  0.37059258  0.12940742  0.50000000  1.0
  Sn  Sn15  1  0.62940742  0.87059258  0.50000000  1.0
  H  H16  1  0.25000000  0.75000000  0.50000000  1.0
  H  H17  1  0.75000000  0.25000000  0.50000000  1.0