data_Bi2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   7.19
_cell_angle_alpha   91.32
_cell_angle_beta   91.32
_cell_angle_gamma   89.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2BPd
_chemical_formula_sum   'Bi2 B1 Pd1'
_cell_volume   82.12
_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
  Bi  Bi1  1  0.28  0.0  0.46  1.0
  Bi  Bi2  1  0.28  0.0  0.73  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.88  0.0  0.59  1.0

data_Bi2BPd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   91.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Bi2BPd
_chemical_formula_sum   'Bi2 B1 Pd1'
_cell_volume   82.14
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Bi  Bi0  1  0.28  0.0  0.46  1.0
  Bi  Bi1  1  0.28  0.0  0.73  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.88  0.0  0.59  1.0

Bi Bi B Pd
Bi Bi B Pd 0 3 - o o 0 1 o o o 1 3 - o o 1 2 o o + 