data_TeIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   148.79
_cell_angle_beta   131.64
_cell_angle_gamma   58.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeIr2Pd
_chemical_formula_sum   'Te1 Ir2 Pd1'
_cell_volume   67.74
_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
  Te  Te3  1  0.0  0.0  0.89  1.0
  Ir  Ir0  1  0.51  0.0  0.65  1.0
  Ir  Ir1  1  0.0  0.3  0.24  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TeIr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.59
_cell_length_c   5.61
_cell_angle_alpha   114.18
_cell_angle_beta   105.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeIr2Pd
_chemical_formula_sum   'Te1 Ir2 Pd1'
_cell_volume   67.74
_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
  Te  Te0  1  0.0  0.89  0.89  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.65  0.14  1.0
  Ir  Ir3  1  0.7  0.94  0.94  1.0

Te Ir Ir Pd