data_In2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75
_cell_length_b   9.75
_cell_length_c   9.75
_cell_angle_alpha   17.97
_cell_angle_beta   17.97
_cell_angle_gamma   17.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2MoPd
_chemical_formula_sum   'In2 Mo1 Pd1'
_cell_volume   76.96
_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
  In  In0  1  0.0  0.0  0.23  1.0
  In  In1  1  0.0  0.0  0.01  1.0
  Mo  Mo2  1  0.0  0.0  0.22  1.0
  Pd  Pd3  1  0.0  0.0  0.69  1.0

data_In2MoPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   3.04
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   100.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2MoPd
_chemical_formula_sum   'In4 Mo2 Pd2'
_cell_volume   153.93
_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
  In  In0  2  0.0  0.0  0.77  1.0
  In  In1  2  0.0  0.0  0.99  1.0
  Mo  Mo2  2  0.0  0.0  0.78  1.0
  Pd  Pd3  2  0.0  0.0  0.31  1.0

In In Mo Pd