data_Mn(PdN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   7.82
_cell_angle_alpha   103.5
_cell_angle_beta   103.5
_cell_angle_gamma   57.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(PdN)2
_chemical_formula_sum   'Mn1 Pd2 N2'
_cell_volume   56.34
_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  0.53  0.0  0.89  1.0
  Pd  Pd2  1  0.64  0.0  0.64  1.0
  N  N3  1  0.55  0.0  0.06  1.0
  N  N4  1  0.61  0.0  0.48  1.0

data_Mn(PdN)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.98
_cell_length_c   7.69
_cell_angle_alpha   81.34
_cell_angle_beta   79.31
_cell_angle_gamma   61.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(PdN)2
_chemical_formula_sum   'Mn1 Pd2 N2'
_cell_volume   56.34
_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  0.63  0.89  1.0
  Pd  Pd2  1  0.0  0.99  0.64  1.0
  N  N3  1  0.0  0.13  0.48  1.0
  N  N4  1  0.0  0.5  0.06  1.0

Mn Pd Pd N N
Mn Pd Pd N N 0 1 - o - 0 3 - o o 0 3 o o o 1 3 o o + 2 4 o o o 