data_MnFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.51
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   34.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2Pd
_chemical_formula_sum   'Mn1 Fe2 Pd1'
_cell_volume   49.43
_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
  Mn  Mn2  1  0.85  0.0  0.29  1.0
  Fe  Fe0  1  0.7  0.0  0.33  1.0
  Fe  Fe1  1  0.56  0.0  0.38  1.0
  Pd  Pd3  1  0.14  0.0  0.12  1.0

data_MnFe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.44
_cell_length_c   4.51
_cell_angle_alpha   99.44
_cell_angle_beta   90.0
_cell_angle_gamma   107.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2Pd
_chemical_formula_sum   'Mn1 Fe2 Pd1'
_cell_volume   49.43
_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
  Mn  Mn0  1  0.0  0.15  0.71  1.0
  Fe  Fe1  1  0.0  0.3  0.67  1.0
  Fe  Fe2  1  0.0  0.44  0.62  1.0
  Pd  Pd3  1  0.0  0.86  0.88  1.0

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