data_MnSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnPd2
_chemical_formula_sum   'Mn1 Sn1 Pd2'
_cell_volume   66.8
_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  0.97  1.0
  Sn  Sn3  1  0.62  0.62  0.14  1.0
  Pd  Pd1  1  0.62  0.62  0.2  1.0
  Pd  Pd2  1  0.0  0.0  0.62  1.0

data_MnSnPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnSnPd2
_chemical_formula_sum   'Mn2 Sn2 Pd4'
_cell_volume   133.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.97  1.0
  Sn  Sn1  2  0.12  0.5  0.14  1.0
  Pd  Pd2  2  0.0  0.0  0.62  1.0
  Pd  Pd3  2  0.12  0.5  0.2  1.0

Mn Sn Pd Pd
Mn Sn Pd Pd 0 2 - - + 0 1 - - + 0 1 - o + 0 1 o - + 0 3 o o o 1 2 o o o 