data_[Te4Ir1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7003]
_cell_length_b [4.1175]
_cell_length_c [7.0249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Te4IrPd]
_chemical_formula_sum '[Te4 Ir1 Pd1]'
_cell_volume [170.4361]
_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  2  0.2052  0.5000  0.9309  1
  Te  Te1  2  0.2809  0.0000  0.5598  1
  Ir  Ir2  1  0.0000  0.5000  0.5000  1
  Pd  Pd3  1  0.5000  0.0000  0.0000  1
]