data_FeBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   39.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBi2Pd
_chemical_formula_sum   'Fe1 Bi2 Pd1'
_cell_volume   85.64
_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
  Fe  Fe2  1  0.0  0.0  0.11  1.0
  Bi  Bi0  1  0.0  0.0  0.15  1.0
  Bi  Bi1  1  0.18  0.0  0.6  1.0
  Pd  Pd3  1  0.18  0.0  0.66  1.0

data_FeBi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.35
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   109.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBi2Pd
_chemical_formula_sum   'Fe1 Bi2 Pd1'
_cell_volume   85.64
_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
  Fe  Fe0  1  0.89  0.0  0.89  1.0
  Bi  Bi1  1  0.4  0.18  0.4  1.0
  Bi  Bi2  1  0.85  0.0  0.85  1.0
  Pd  Pd3  1  0.34  0.18  0.34  1.0

Fe Bi Bi Pd
Fe Bi Bi Pd 0 1 o o o 2 3 o o o 