data_Fe2BiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77
_cell_length_b   8.77
_cell_length_c   8.77
_cell_angle_alpha   20.29
_cell_angle_beta   20.29
_cell_angle_gamma   20.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BiPd
_chemical_formula_sum   'Fe2 Bi1 Pd1'
_cell_volume   70.98
_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  0.13  1.0
  Fe  Fe2  1  0.0  0.0  0.64  1.0
  Bi  Bi0  1  0.0  0.0  0.88  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Fe2BiPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   101.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2BiPd
_chemical_formula_sum   'Fe4 Bi2 Pd2'
_cell_volume   141.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.87  1.0
  Fe  Fe1  2  -0.0  0.0  0.36  1.0
  Bi  Bi2  2  -0.0  0.0  0.12  1.0
  Pd  Pd3  2  -0.0  0.0  0.0  1.0

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