data_MnCdPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.67
_cell_angle_alpha   103.57
_cell_angle_beta   103.57
_cell_angle_gamma   34.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdPd2
_chemical_formula_sum   'Mn1 Cd1 Pd2'
_cell_volume   65.62
_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  Mn1  1  0.9  0.0  0.96  1.0
  Cd  Cd0  1  0.22  0.0  0.39  1.0
  Pd  Pd2  1  0.0  0.0  0.14  1.0
  Pd  Pd3  1  0.59  0.0  0.3  1.0

data_MnCdPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.67
_cell_length_c   5.04
_cell_angle_alpha   103.57
_cell_angle_beta   107.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdPd2
_chemical_formula_sum   'Mn1 Cd1 Pd2'
_cell_volume   65.62
_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  0.96  0.9  1.0
  Cd  Cd1  1  0.0  0.39  0.22  1.0
  Pd  Pd2  1  0.0  0.14  0.0  1.0
  Pd  Pd3  1  0.0  0.3  0.59  1.0

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