data_FeSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.77
_cell_angle_alpha   101.98
_cell_angle_beta   101.98
_cell_angle_gamma   44.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Pd
_chemical_formula_sum   'Fe1 Sb2 Pd1'
_cell_volume   73.9
_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  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.66  0.0  0.28  1.0
  Sb  Sb3  1  0.1  0.0  0.35  1.0
  Pd  Pd1  1  0.38  0.0  0.81  1.0

data_FeSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.34
_cell_length_c   5.77
_cell_angle_alpha   101.98
_cell_angle_beta   90.0
_cell_angle_gamma   112.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Pd
_chemical_formula_sum   'Fe1 Sb2 Pd1'
_cell_volume   73.9
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.34  0.72  1.0
  Sb  Sb2  1  0.0  0.9  0.65  1.0
  Pd  Pd3  1  0.0  0.62  0.19  1.0

Fe Sb Sb Pd
Fe Sb Sb Pd 0 1 - o o 0 3 o o - 0 3 - o - 0 2 o o o 1 2 + o o 1 3 o o - 2 3 o o o 