data_InMo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.44
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   92.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InMo2Pd
_chemical_formula_sum   'In1 Mo2 Pd1'
_cell_volume   67.2
_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  0.9  0.0  0.69  1.0
  Mo  Mo1  1  0.28  0.22  0.12  1.0
  Mo  Mo2  1  0.33  0.22  0.26  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_InMo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.44
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   92.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InMo2Pd
_chemical_formula_sum   'In1 Mo2 Pd1'
_cell_volume   67.2
_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  0.9  0.0  0.69  1.0
  Mo  Mo1  1  0.28  0.22  0.12  1.0
  Mo  Mo2  1  0.33  0.22  0.26  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

In Mo Mo Pd
In Mo Mo Pd 0 3 + o + 1 2 o o o 1 3 o o o 