data_FeAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   134.16
_cell_angle_beta   134.16
_cell_angle_gamma   66.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg2Pd
_chemical_formula_sum   'Fe1 Ag2 Pd1'
_cell_volume   63.89
_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  0.0  1.0
  Ag  Ag0  1  0.0  0.95  0.09  1.0
  Ag  Ag1  1  0.95  0.0  0.09  1.0
  Pd  Pd3  1  0.0  0.0  0.19  1.0

data_FeAg2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   123.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeAg2Pd
_chemical_formula_sum   'Fe2 Ag4 Pd2'
_cell_volume   127.78
_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  0.0  1.0
  Ag  Ag1  4  0.38  0.48  0.86  1.0
  Pd  Pd2  2  0.31  0.5  0.81  1.0

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