data_[Te12Ir4Pd4]
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 [C2/m]
_cell_length_a [12.2585]
_cell_length_b [3.8956]
_cell_length_c [11.8568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te3IrPd]
_chemical_formula_sum '[Te12 Ir4 Pd4]'
_cell_volume [484.7028]
_cell_formula_units_Z [4]
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  4  0.0416  0.5000  0.3969  1
  Te  Te1  4  0.1116  0.0000  0.9270  1
  Te  Te2  4  0.1911  0.5000  0.2192  1
  Ir  Ir3  4  0.1847  0.5000  0.8269  1
  Pd  Pd4  4  0.1922  0.0000  0.3917  1
]