data_[Ga9Te27Pd96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7052]
_cell_length_b [7.7052]
_cell_length_c [43.4113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ga3Te9Pd32]
_chemical_formula_sum '[Ga9 Te27 Pd96]'
_cell_volume [2232.0256]
_cell_formula_units_Z [3]
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
[
  Ga  Ga0  3  0.0000  0.0000  0.4490  1
  Ga  Ga1  3  0.0000  0.0000  0.7909  1
  Ga  Ga2  3  0.0000  0.0000  0.9492  1
  Te  Te3  9  0.0142  0.6692  0.8646  1
  Te  Te4  9  0.0163  0.3487  0.3661  1
  Te  Te5  3  0.0000  0.0000  0.1065  1
  Te  Te6  3  0.0000  0.0000  0.2904  1
  Te  Te7  3  0.0000  0.0000  0.6060  1
  Pd  Pd8  9  0.0005  0.3648  0.2986  1
  Pd  Pd9  9  0.0014  0.2672  0.5634  1
  Pd  Pd10  9  0.0027  0.7344  0.0634  1
  Pd  Pd11  9  0.0027  0.6416  0.7983  1
  Pd  Pd12  9  0.0052  0.6373  0.5980  1
  Pd  Pd13  9  0.0341  0.3343  0.4321  1
  Pd  Pd14  9  0.0787  0.6729  0.9999  1
  Pd  Pd15  9  0.0861  0.4132  0.4989  1
  Pd  Pd16  3  0.0000  0.0000  0.0096  1
  Pd  Pd17  3  0.0000  0.0000  0.1673  1
  Pd  Pd18  3  0.0000  0.0000  0.2309  1
  Pd  Pd19  3  0.0000  0.0000  0.3878  1
  Pd  Pd20  3  0.0000  0.0000  0.5094  1
  Pd  Pd21  3  0.0000  0.0000  0.6669  1
  Pd  Pd22  3  0.0000  0.0000  0.7325  1
  Pd  Pd23  3  0.0000  0.0000  0.8880  1
]