data_B(AsPd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   143.98
_cell_angle_beta   143.98
_cell_angle_gamma   51.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B(AsPd)2
_chemical_formula_sum   'B1 As2 Pd2'
_cell_volume   88.19
_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  B2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.94  1.0
  As  As1  1  0.0  0.0  0.48  1.0
  Pd  Pd3  1  0.0  0.96  0.86  1.0
  Pd  Pd4  1  0.96  0.0  0.86  1.0

data_B(AsPd)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   115.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B(AsPd)2
_chemical_formula_sum   'B2 As4 Pd4'
_cell_volume   176.39
_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
  As  As1  2  0.0  0.0  0.06  1.0
  As  As2  2  0.0  0.0  0.52  1.0
  Pd  Pd3  4  0.48  0.48  0.11  1.0

B As As Pd Pd
B As As Pd Pd 0 1 o o - 0 2 o o o 1 4 - o o 1 3 o - o 1 2 o o o 2 4 - o o 2 3 o - o 3 4 - + o 