data_BSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   7.14
_cell_angle_alpha   28.19
_cell_angle_beta   28.19
_cell_angle_gamma   28.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2Pd
_chemical_formula_sum   'B1 Sb2 Pd1'
_cell_volume   71.66
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.13  1.0
  Sb  Sb3  1  0.0  0.0  0.42  1.0
  Pd  Pd1  1  0.0  0.0  0.27  1.0

data_BSb2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   3.48
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BSb2Pd
_chemical_formula_sum   'B2 Sb4 Pd2'
_cell_volume   143.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  B  B0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.58  1.0
  Sb  Sb2  2  0.0  0.0  0.87  1.0
  Pd  Pd3  2  0.0  0.0  0.73  1.0

B Sb Sb Pd
B Sb Sb Pd 0 1 o o o 1 3 o o o 2 3 o o o 