# generated using pymatgen
data_PrTa3(FeH6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04578248
_cell_length_b   6.04611584
_cell_length_c   4.64404934
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.37009633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTa3(FeH6)2
_chemical_formula_sum   'Pr1 Ta3 Fe2 H12'
_cell_volume   146.46191157
_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
  Pr  Pr0  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta1  1  0.50000000  0.00000000  0.50000000  1.0
  Ta  Ta2  1  0.00000000  0.50000000  0.50000000  1.0
  Ta  Ta3  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe4  1  0.68874143  0.31125643  0.00000000  1.0
  Fe  Fe5  1  0.31125857  0.68874357  0.00000000  1.0
  H  H6  1  0.78959665  0.58419332  0.75084959  1.0
  H  H7  1  0.21040335  0.41580668  0.24915041  1.0
  H  H8  1  0.19452405  0.80546790  0.26155208  1.0
  H  H9  1  0.80547595  0.19453210  0.26155208  1.0
  H  H10  1  0.58425432  0.78963596  0.24923128  1.0
  H  H11  1  0.41574568  0.21036404  0.24923128  1.0
  H  H12  1  0.41574568  0.21036404  0.75076872  1.0
  H  H13  1  0.21040335  0.41580668  0.75084959  1.0
  H  H14  1  0.80547595  0.19453210  0.73844792  1.0
  H  H15  1  0.58425432  0.78963596  0.75076872  1.0
  H  H16  1  0.78959665  0.58419332  0.24915041  1.0
  H  H17  1  0.19452405  0.80546790  0.73844792  1.0