data_MgIn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   131.92
_cell_angle_beta   131.92
_cell_angle_gamma   70.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Pd
_chemical_formula_sum   'Mg1 In2 Pd1'
_cell_volume   80.61
_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
  In  In0  1  0.0  0.0  0.33  1.0
  In  In1  1  0.0  0.16  0.16  1.0
  Pd  Pd3  1  0.16  0.0  0.16  1.0

data_MgIn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.3
_cell_angle_alpha   114.04
_cell_angle_beta   114.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Pd
_chemical_formula_sum   'Mg1 In2 Pd1'
_cell_volume   80.61
_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  Mg0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.67  0.0  0.67  1.0
  In  In2  1  0.99  0.16  0.99  1.0
  Pd  Pd3  1  0.84  0.0  0.99  1.0

Mg In In Pd