data_[Ga2Te2Pd28]
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 [Amm2]
_cell_length_a [9.0379]
_cell_length_b [5.9155]
_cell_length_c [9.4388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [GaTePd14]
_chemical_formula_sum '[Ga2 Te2 Pd28]'
_cell_volume [504.6307]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0554  1
  Te  Te1  2  0.5000  0.0000  0.5612  1
  Pd  Pd2  8  0.2588  0.2449  0.1237  1
  Pd  Pd3  4  0.0000  0.2485  0.9406  1
  Pd  Pd4  4  0.2438  0.0000  0.3741  1
  Pd  Pd5  4  0.2494  0.0000  0.8748  1
  Pd  Pd6  4  0.5000  0.2474  0.3159  1
  Pd  Pd7  2  0.0000  0.0000  0.1886  1
  Pd  Pd8  2  0.0000  0.0000  0.6894  1
]