data_In2AsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   6.66
_cell_angle_alpha   105.33
_cell_angle_beta   105.33
_cell_angle_gamma   56.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AsPd
_chemical_formula_sum   'In2 As1 Pd1'
_cell_volume   88.41
_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  In1  1  0.31  0.0  0.68  1.0
  In  In2  1  0.92  0.0  0.67  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.61  0.0  0.18  1.0

data_In2AsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.09
_cell_length_c   6.66
_cell_angle_alpha   105.33
_cell_angle_beta   90.0
_cell_angle_gamma   118.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AsPd
_chemical_formula_sum   'In2 As1 Pd1'
_cell_volume   88.41
_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  0.08  0.33  1.0
  In  In1  1  0.0  0.69  0.32  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.39  0.82  1.0

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