data_In2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.02
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   110.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TePd
_chemical_formula_sum   'In2 Te1 Pd1'
_cell_volume   101.09
_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  0.45  0.01  0.24  1.0
  In  In1  1  0.1  0.01  0.21  1.0
  Te  Te3  1  0.97  0.0  0.73  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_In2TePd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.62
_cell_length_b   4.02
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   110.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   In2TePd
_chemical_formula_sum   'In2 Te1 Pd1'
_cell_volume   101.09
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.1  0.0  0.21  1.0
  In  In1  1  0.45  0.0  0.24  1.0
  Te  Te2  1  0.97  0.0  0.73  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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