data_[Ag1Te6Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5478]
_cell_length_b [6.6165]
_cell_length_c [6.7470]
_cell_angle_alpha [61.5280]
_cell_angle_beta [65.9073]
_cell_angle_gamma [65.4557]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgTe6Pd]
_chemical_formula_sum '[Ag1 Te6 Pd1]'
_cell_volume [225.5137]
_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
[
  Ag  Ag0  1  0.5000  0.5000  0.5000  1
  Te  Te1  2  0.0231  0.7601  0.4581  1
  Te  Te2  2  0.1990  0.5714  0.9610  1
  Te  Te3  2  0.4435  0.0252  0.7988  1
  Pd  Pd4  1  0.0000  0.0000  0.0000  1
]