data_InSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.5
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   103.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2Pd
_chemical_formula_sum   'In1 Si2 Pd1'
_cell_volume   73.09
_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  0.01  0.75  0.23  1.0
  Si  Si2  1  0.53  0.75  0.52  1.0
  Si  Si3  1  0.32  0.0  0.59  1.0
  Pd  Pd1  1  0.23  0.0  0.64  1.0

data_InSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.5
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   103.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2Pd
_chemical_formula_sum   'In1 Si2 Pd1'
_cell_volume   73.09
_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  0.01  0.75  0.23  1.0
  Si  Si1  1  0.32  0.0  0.59  1.0
  Si  Si2  1  0.53  0.75  0.52  1.0
  Pd  Pd3  1  0.23  0.0  0.64  1.0

In Si Si Pd
In Si Si Pd 0 1 - o o 0 1 o o o 0 3 o + o 0 2 o + o 1 2 o + o 2 3 o o o 