data_[Ta4Te16Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [11.6607]
_cell_length_b [16.5182]
_cell_length_c [3.8443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ta2Te8Pd3]
_chemical_formula_sum '[Ta4 Te16 Pd6]'
_cell_volume [740.4660]
_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
[
  Ta  Ta0  4  0.2044  0.8747  0.5000  1
  Te  Te1  4  0.0311  0.8421  0.0000  1
  Te  Te2  4  0.0577  0.3746  0.5000  1
  Te  Te3  4  0.2264  0.0001  0.0000  1
  Te  Te4  4  0.2350  0.7093  0.5000  1
  Pd  Pd5  4  0.1375  0.2776  0.0000  1
  Pd  Pd6  2  0.0000  0.0000  0.0000  1
]