data_InAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   7.03
_cell_angle_alpha   91.46
_cell_angle_beta   91.46
_cell_angle_gamma   41.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAs2Pd
_chemical_formula_sum   'In1 As2 Pd1'
_cell_volume   85.01
_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  In2  1  0.74  0.0  0.36  1.0
  As  As0  1  0.5  0.0  0.39  1.0
  As  As1  1  0.39  0.0  0.15  1.0
  Pd  Pd3  1  0.1  0.0  0.64  1.0

data_InAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.28
_cell_length_c   7.03
_cell_angle_alpha   91.46
_cell_angle_beta   90.0
_cell_angle_gamma   110.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAs2Pd
_chemical_formula_sum   'In1 As2 Pd1'
_cell_volume   85.01
_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  0.26  0.64  1.0
  As  As1  1  0.0  0.5  0.61  1.0
  As  As2  1  0.0  0.61  0.85  1.0
  Pd  Pd3  1  0.0  0.9  0.36  1.0

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