data_MgMn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   2.58
_cell_angle_alpha   98.37
_cell_angle_beta   98.37
_cell_angle_gamma   122.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Pd
_chemical_formula_sum   'Mg1 Mn2 Pd1'
_cell_volume   53.41
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.83  0.23  0.23  1.0
  Mn  Mn2  1  0.83  0.77  0.23  1.0
  Pd  Pd3  1  0.44  0.0  0.0  1.0

data_MgMn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.78
_cell_length_c   5.08
_cell_angle_alpha   114.35
_cell_angle_beta   98.37
_cell_angle_gamma   103.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Pd
_chemical_formula_sum   'Mg1 Mn2 Pd1'
_cell_volume   53.41
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.77  0.6  1.0
  Mn  Mn2  1  0.45  0.23  0.05  1.0
  Pd  Pd3  1  -0.0  0.0  0.44  1.0

Mg Mn Mn Pd
Mg Mn Mn Pd 0 2 - - o 0 1 - o o 1 3 o o o 