data_InAsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   135.86
_cell_angle_beta   135.86
_cell_angle_gamma   64.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAsPd2
_chemical_formula_sum   'In1 As1 Pd2'
_cell_volume   69.53
_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  0.98  0.0  0.23  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.45  1.0
  Pd  Pd3  1  0.0  0.98  0.23  1.0

data_InAsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.26
_cell_angle_alpha   112.07
_cell_angle_beta   112.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAsPd2
_chemical_formula_sum   'In1 As1 Pd2'
_cell_volume   69.53
_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  0.23  0.25  0.25  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.25  0.23  0.25  1.0
  Pd  Pd3  1  0.45  0.45  0.45  1.0

In As Pd Pd