data_[Cu2Te8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9379]
_cell_length_b [4.1906]
_cell_length_c [7.2067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(Te2Pd)2]
_chemical_formula_sum '[Cu2 Te8 Pd4]'
_cell_volume [324.5494]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1.0
  Te  Te1  4  0.1198  0.0000  0.7761  1.0
  Te  Te2  4  0.1253  0.5000  0.2944  1.0
  Pd  Pd3  4  0.2486  0.5000  0.7566  1.0
]