data_FeP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   155.15
_cell_angle_beta   148.0
_cell_angle_gamma   40.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Pd
_chemical_formula_sum   'Fe1 P2 Pd1'
_cell_volume   54.03
_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  0.13  1.0
  P  P1  1  0.0  0.72  0.13  1.0
  P  P2  1  0.0  0.0  0.57  1.0
  Pd  Pd3  1  0.0  0.72  0.71  1.0

data_FeP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.44
_cell_length_c   6.24
_cell_angle_alpha   106.0
_cell_angle_beta   102.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Pd
_chemical_formula_sum   'Fe1 P2 Pd1'
_cell_volume   54.03
_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  0.87  0.87  0.87  1.0
  P  P1  1  0.43  0.43  0.43  1.0
  P  P2  1  0.87  0.59  0.59  1.0
  Pd  Pd3  1  0.29  0.01  0.01  1.0

Fe P P Pd