# generated using pymatgen
data_CaNd4Sn3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37108643
_cell_length_b   9.37108621
_cell_length_c   9.37108705
_cell_angle_alpha   127.84862380
_cell_angle_beta   127.84862559
_cell_angle_gamma   76.87037792
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd4Sn3H
_chemical_formula_sum   'Ca2 Nd8 Sn6 H2'
_cell_volume   498.19233004
_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
  Nd  Nd2  1  0.51414553  0.01414553  0.82897221  1.0
  Nd  Nd3  1  0.18517332  0.68517332  0.17102779  1.0
  Nd  Nd4  1  0.01414553  0.18517332  0.50000000  1.0
  Nd  Nd5  1  0.68517332  0.51414553  0.50000000  1.0
  Nd  Nd6  1  0.48585447  0.98585447  0.17102779  1.0
  Nd  Nd7  1  0.81482668  0.31482668  0.82897221  1.0
  Nd  Nd8  1  0.98585447  0.81482668  0.50000000  1.0
  Nd  Nd9  1  0.31482668  0.48585447  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  0.87019011  0.37019011  0.24038222  1.0
  Sn  Sn13  1  0.12980989  0.62980989  0.75961778  1.0
  Sn  Sn14  1  0.37019011  0.12980989  0.50000000  1.0
  Sn  Sn15  1  0.62980989  0.87019011  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