data_FeBiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.97
_cell_angle_alpha   101.64
_cell_angle_beta   101.64
_cell_angle_gamma   38.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBiPd2
_chemical_formula_sum   'Fe1 Bi1 Pd2'
_cell_volume   70.77
_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  Fe1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.02  0.0  0.43  1.0
  Pd  Pd2  1  0.53  0.0  0.76  1.0
  Pd  Pd3  1  0.51  0.0  0.1  1.0

data_FeBiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.83
_cell_length_c   4.97
_cell_angle_alpha   101.64
_cell_angle_beta   90.0
_cell_angle_gamma   109.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBiPd2
_chemical_formula_sum   'Fe1 Bi1 Pd2'
_cell_volume   70.77
_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
  Bi  Bi1  1  0.0  0.98  0.57  1.0
  Pd  Pd2  1  0.0  0.47  0.24  1.0
  Pd  Pd3  1  0.0  0.49  0.9  1.0

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