# generated using pymatgen
data_CaNd4Si3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94671265
_cell_length_b   8.94671331
_cell_length_c   8.94671361
_cell_angle_alpha   128.55270547
_cell_angle_beta   128.55270819
_cell_angle_gamma   75.73135784
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd4Si3H
_chemical_formula_sum   'Ca2 Nd8 Si6 H2'
_cell_volume   426.00782732
_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  0.52556211  0.02556211  0.84414806  1.0
  Nd  Nd3  1  0.18141505  0.68141505  0.15585194  1.0
  Nd  Nd4  1  0.02556211  0.18141505  0.50000000  1.0
  Nd  Nd5  1  0.68141505  0.52556211  0.50000000  1.0
  Nd  Nd6  1  0.47443789  0.97443789  0.15585194  1.0
  Nd  Nd7  1  0.81858495  0.31858495  0.84414806  1.0
  Nd  Nd8  1  0.97443789  0.81858495  0.50000000  1.0
  Nd  Nd9  1  0.31858495  0.47443789  0.50000000  1.0
  Si  Si10  1  0.25000000  0.25000000  0.00000000  1.0
  Si  Si11  1  0.75000000  0.75000000  0.00000000  1.0
  Si  Si12  1  0.88637480  0.38637480  0.27275260  1.0
  Si  Si13  1  0.11362520  0.61362520  0.72724740  1.0
  Si  Si14  1  0.38637480  0.11362520  0.50000000  1.0
  Si  Si15  1  0.61362520  0.88637480  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