data_InSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSb2Pd
_chemical_formula_sum   'In1 Sb2 Pd1'
_cell_volume   103.68
_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  0.85  0.0  0.0  1.0
  Sb  Sb2  1  0.85  0.39  0.15  1.0
  Sb  Sb3  1  0.85  0.61  0.15  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_InSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   112.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSb2Pd
_chemical_formula_sum   'In1 Sb2 Pd1'
_cell_volume   103.68
_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  0.85  0.0  1.0
  Sb  Sb1  1  0.15  0.85  0.39  1.0
  Sb  Sb2  1  0.15  0.85  0.61  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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