data_MgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   107.32
_cell_angle_beta   107.32
_cell_angle_gamma   113.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPd2
_chemical_formula_sum   'Mg2 Pd4'
_cell_volume   97.95
_cell_formula_units_Z   2
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  Mg0  1  0.0  0.0  0.37  1.0
  Mg  Mg1  1  0.0  0.0  0.12  1.0
  Pd  Pd2  1  0.04  0.94  0.0  1.0
  Pd  Pd3  1  0.04  0.06  0.75  1.0
  Pd  Pd4  1  0.94  0.93  0.0  1.0
  Pd  Pd5  1  0.94  0.04  0.75  1.0

data_MgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   107.32
_cell_angle_beta   107.32
_cell_angle_gamma   113.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPd2
_chemical_formula_sum   'Mg2 Pd4'
_cell_volume   97.95
_cell_formula_units_Z   2
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  Mg0  1  0.0  0.0  0.12  1.0
  Mg  Mg1  1  0.0  0.0  0.37  1.0
  Pd  Pd2  1  0.04  0.06  0.75  1.0
  Pd  Pd3  1  0.04  0.94  0.0  1.0
  Pd  Pd4  1  0.94  0.04  0.75  1.0
  Pd  Pd5  1  0.94  0.93  0.0  1.0

Mg Mg Pd Pd Pd Pd