data_MgInPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   141.98
_cell_angle_beta   141.98
_cell_angle_gamma   54.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInPd
_chemical_formula_sum   'Mg1 In1 Pd1'
_cell_volume   55.62
_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
  Mg  Mg1  1  0.0  0.0  0.99  1.0
  In  In0  1  0.0  0.0  0.08  1.0
  Pd  Pd2  1  0.0  0.0  0.32  1.0

data_MgInPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   117.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgInPd
_chemical_formula_sum   'Mg2 In2 Pd2'
_cell_volume   111.24
_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  0.49  0.5  0.99  1.0
  In  In1  2  0.08  0.0  0.08  1.0
  Pd  Pd2  2  0.32  0.0  0.32  1.0

Mg In Pd
Mg In Pd 0 1 o o + 1 2 o o o 