data_image0
_chemical_formula_structural       PdSnHf
_chemical_formula_sum              "Pd1 Sn1 Hf1"
_cell_length_a       4.49967860306
_cell_length_b       4.49967860769
_cell_length_c       4.499678609999999
_cell_angle_alpha    60.000000057
_cell_angle_beta     60.000000022999984
_cell_angle_gamma    60.000000007000004

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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
  Pd  Pd1       1.0  0.2500000000000001  0.24999999999999994  0.25  1.0000
  Sn  Sn1       1.0  0.5000000000000002  0.4999999999999999  0.5  1.0000
  Hf  Hf1       1.0  0.0  0.0  0.0  1.0000