data_MnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   145.58
_cell_angle_beta   132.95
_cell_angle_gamma   59.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPd2
_chemical_formula_sum   'Mn1 Pd2'
_cell_volume   45.28
_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  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.53  1.0
  Pd  Pd2  1  0.0  0.0  0.8  1.0

data_MnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.83
_cell_length_c   4.8
_cell_angle_alpha   113.53
_cell_angle_beta   107.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPd2
_chemical_formula_sum   'Mn1 Pd2'
_cell_volume   45.28
_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  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.53  0.53  1.0
  Pd  Pd2  1  0.0  0.8  0.8  1.0

Mn Pd Pd