data_BeSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   150.41
_cell_angle_beta   146.71
_cell_angle_gamma   45.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb2Pd
_chemical_formula_sum   'Be1 Sb2 Pd1'
_cell_volume   80.86
_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  0.78  1.0
  Sb  Sb2  1  0.0  0.0  0.32  1.0
  Sb  Sb3  1  0.71  0.0  0.48  1.0
  Pd  Pd1  1  0.0  0.92  0.13  1.0

data_BeSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.83
_cell_length_c   6.69
_cell_angle_alpha   106.65
_cell_angle_beta   104.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb2Pd
_chemical_formula_sum   'Be1 Sb2 Pd1'
_cell_volume   80.86
_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  0.22  0.22  0.22  1.0
  Sb  Sb1  1  0.23  0.52  0.23  1.0
  Sb  Sb2  1  0.68  0.68  0.68  1.0
  Pd  Pd3  1  0.87  0.79  0.79  1.0

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