data_HfBe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   36.61
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Pd
_chemical_formula_sum   'Hf1 Be2 Pd1'
_cell_volume   53.41
_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
  Hf  Hf2  1  0.85  0.0  0.54  1.0
  Be  Be0  1  0.85  0.0  0.79  1.0
  Be  Be1  1  0.0  0.0  0.85  1.0
  Pd  Pd3  1  0.0  0.0  0.71  1.0

data_HfBe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.7
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   108.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Pd
_chemical_formula_sum   'Hf1 Be2 Pd1'
_cell_volume   53.41
_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
  Hf  Hf0  1  0.46  0.85  0.46  1.0
  Be  Be1  1  0.15  0.0  0.15  1.0
  Be  Be2  1  0.21  0.85  0.21  1.0
  Pd  Pd3  1  0.29  0.0  0.29  1.0

Hf Be Be Pd