# generated using pymatgen
data_CaPr4Si3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01464120
_cell_length_b   9.01464226
_cell_length_c   9.01464325
_cell_angle_alpha   128.54560619
_cell_angle_beta   128.54561317
_cell_angle_gamma   75.74281161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr4Si3H
_chemical_formula_sum   'Ca2 Pr8 Si6 H2'
_cell_volume   435.86341513
_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  0.52637188  0.02637188  0.84554040  1.0
  Pr  Pr3  1  0.18083248  0.68083248  0.15445960  1.0
  Pr  Pr4  1  0.02637188  0.18083248  0.50000000  1.0
  Pr  Pr5  1  0.68083248  0.52637188  0.50000000  1.0
  Pr  Pr6  1  0.47362812  0.97362812  0.15445960  1.0
  Pr  Pr7  1  0.81916752  0.31916752  0.84554040  1.0
  Pr  Pr8  1  0.97362812  0.81916752  0.50000000  1.0
  Pr  Pr9  1  0.31916752  0.47362812  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  0.88715744  0.38715744  0.27431688  1.0
  Si  Si13  1  0.11284256  0.61284256  0.72568312  1.0
  Si  Si14  1  0.38715744  0.11284256  0.50000000  1.0
  Si  Si15  1  0.61284256  0.88715744  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