data_BiSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   3.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSb2Pd
_chemical_formula_sum   'Bi1 Sb2 Pd1'
_cell_volume   100.75
_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  0.18  0.0  0.0  1.0
  Sb  Sb2  1  0.59  0.04  0.94  1.0
  Sb  Sb3  1  0.59  0.96  0.94  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_BiSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   104.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSb2Pd
_chemical_formula_sum   'Bi1 Sb2 Pd1'
_cell_volume   100.75
_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  0.0  0.18  0.0  1.0
  Sb  Sb1  1  0.94  0.59  0.04  1.0
  Sb  Sb2  1  0.94  0.59  0.96  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Bi Sb Sb Pd