data_Sb3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   151.01
_cell_angle_beta   138.33
_cell_angle_gamma   51.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Pd
_chemical_formula_sum   'Sb3 Pd1'
_cell_volume   99.36
_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
  Sb  Sb1  1  0.0  0.41  0.84  1.0
  Sb  Sb2  1  0.0  0.0  0.09  1.0
  Sb  Sb3  1  0.69  0.0  0.25  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Sb3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.81
_cell_length_c   6.77
_cell_angle_alpha   110.84
_cell_angle_beta   104.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Pd
_chemical_formula_sum   'Sb3 Pd1'
_cell_volume   99.36
_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
  Sb  Sb0  1  0.0  0.09  0.09  1.0
  Sb  Sb1  1  0.0  0.25  0.56  1.0
  Sb  Sb2  1  0.59  0.44  0.44  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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