data_Be2SbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   3.29
_cell_angle_alpha   106.18
_cell_angle_beta   106.18
_cell_angle_gamma   115.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SbPd
_chemical_formula_sum   'Be2 Sb1 Pd1'
_cell_volume   62.65
_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  0.32  0.89  0.0  1.0
  Be  Be1  1  0.32  0.11  0.0  1.0
  Sb  Sb3  1  0.65  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Be2SbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.54
_cell_length_c   4.98
_cell_angle_alpha   114.74
_cell_angle_beta   106.18
_cell_angle_gamma   96.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SbPd
_chemical_formula_sum   'Be2 Sb1 Pd1'
_cell_volume   62.65
_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  0.11  0.11  0.44  1.0
  Be  Be1  1  0.89  0.89  0.21  1.0
  Sb  Sb2  1  0.0  0.0  0.65  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Be Be Sb Pd
Be Be Sb Pd 0 1 o + o 0 2 o + o 1 3 o o o 2 3 + o o 