data_Bi3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   116.72
_cell_angle_beta   116.72
_cell_angle_gamma   116.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Pd
_chemical_formula_sum   'Bi3 Pd1'
_cell_volume   108.52
_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  Bi0  1  0.37  0.48  0.13  1.0
  Bi  Bi1  1  0.0  0.04  0.13  1.0
  Bi  Bi2  1  0.63  0.48  0.13  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Bi3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   116.72
_cell_angle_beta   100.56
_cell_angle_gamma   100.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Pd
_chemical_formula_sum   'Bi3 Pd1'
_cell_volume   108.52
_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  Bi0  1  0.13  0.13  0.09  1.0
  Bi  Bi1  1  0.13  0.76  0.65  1.0
  Bi  Bi2  1  0.13  0.5  0.65  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Bi Bi Bi Pd