data_Be5Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Pd3
_chemical_formula_sum   'Be5 Pd3'
_cell_volume   86.54
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.61  0.77  0.0  1.0
  Be  Be2  1  0.61  0.23  0.0  1.0
  Be  Be3  1  0.87  0.0  0.9  1.0
  Be  Be4  1  0.58  0.0  0.9  1.0
  Pd  Pd5  1  0.22  0.0  0.0  1.0
  Pd  Pd6  1  0.22  0.9  0.9  1.0
  Pd  Pd7  1  0.22  0.1  0.9  1.0

data_Be5Pd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   95.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Pd3
_chemical_formula_sum   'Be5 Pd3'
_cell_volume   86.54
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.61  0.23  1.0
  Be  Be2  1  0.0  0.61  0.77  1.0
  Be  Be3  1  0.9  0.58  0.0  1.0
  Be  Be4  1  0.9  0.87  0.0  1.0
  Pd  Pd5  1  0.0  0.22  0.0  1.0
  Pd  Pd6  1  0.9  0.22  0.1  1.0
  Pd  Pd7  1  0.9  0.22  0.9  1.0

Be Be Be Be Be Pd Pd Pd
Be Be Be Be Be Pd Pd Pd 0 3 - o - 1 4 o + - 2 4 o o - 3 4 o o o 5 7 o o - 5 6 o - - 