# generated using pymatgen
data_Ca4CuH12Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02266512
_cell_length_b   7.02266370
_cell_length_c   5.18845997
_cell_angle_alpha   90.00139876
_cell_angle_beta   90.00140962
_cell_angle_gamma   136.61835097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4CuH12Pd
_chemical_formula_sum   'Ca4 Cu1 H12 Pd1'
_cell_volume   175.75480852
_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
  Ca  Ca0  1  0.14972206  0.85027794  0.50000000  1.0
  Ca  Ca1  1  0.64967416  0.35032584  0.00000000  1.0
  Ca  Ca2  1  0.85027794  0.14972206  0.50000000  1.0
  Ca  Ca3  1  0.35032584  0.64967416  1.00000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  H  H5  1  0.99996171  0.50000982  0.75017728  1.0
  H  H6  1  0.49999018  0.00003829  0.24982272  1.0
  H  H7  1  0.00003829  0.49999018  0.24982272  1.0
  H  H8  1  0.50000982  0.99996171  0.75017728  1.0
  H  H9  1  0.37262588  0.62737412  0.50000000  1.0
  H  H10  1  0.88001278  0.11998722  1.00000000  1.0
  H  H11  1  0.62737412  0.37262588  0.50000000  1.0
  H  H12  1  0.11998722  0.88001278  0.00000000  1.0
  H  H13  1  0.25366450  0.25366450  0.74700318  1.0
  H  H14  1  0.74633550  0.74633550  0.25299682  1.0
  H  H15  1  0.25322452  0.25322452  0.25335221  1.0
  H  H16  1  0.74677548  0.74677548  0.74664779  1.0
  Pd  Pd17  1  0.50000000  0.50000000  0.50000000  1.0