data_NaMgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   152.0
_cell_angle_beta   152.0
_cell_angle_gamma   40.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgPd
_chemical_formula_sum   'Na1 Mg1 Pd1'
_cell_volume   64.62
_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
  Na  Na1  1  0.0  0.0  0.91  1.0
  Mg  Mg0  1  0.0  0.0  0.48  1.0
  Pd  Pd2  1  0.0  0.0  0.1  1.0

data_NaMgPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   110.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMgPd
_chemical_formula_sum   'Na2 Mg2 Pd2'
_cell_volume   129.23
_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
  Na  Na0  2  0.41  0.5  0.91  1.0
  Mg  Mg1  2  0.48  0.0  0.48  1.0
  Pd  Pd2  2  0.1  0.0  0.1  1.0

Na Mg Pd
Na Mg Pd 0 2 o o + 0 1 o o o 1 1 + o + 1 1 o + + 1 2 o o o 