data_MgAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36
_cell_length_b   9.36
_cell_length_c   9.36
_cell_angle_alpha   18.19
_cell_angle_beta   18.19
_cell_angle_gamma   18.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAg2Pd
_chemical_formula_sum   'Mg1 Ag2 Pd1'
_cell_volume   69.78
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.89  1.0
  Ag  Ag1  1  0.0  0.0  0.72  1.0
  Pd  Pd3  1  0.0  0.0  0.8  1.0

data_MgAg2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   2.96
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   100.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgAg2Pd
_chemical_formula_sum   'Mg2 Ag4 Pd2'
_cell_volume   139.56
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  -0.0  0.0  0.28  1.0
  Ag  Ag2  2  -0.0  0.0  0.11  1.0
  Pd  Pd3  2  -0.0  0.0  0.2  1.0

Mg Ag Ag Pd
Mg Ag Ag Pd 0 1 o o - 1 3 o o o 2 3 o o o 