data_[Cu8Te2Pd14]
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 [8.5299]
_cell_length_b [4.0138]
_cell_length_c [10.9176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu4TePd7]
_chemical_formula_sum '[Cu8 Te2 Pd14]'
_cell_volume [360.2115]
_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  4  0.1700  0.5000  0.9180  1
  Cu  Cu1  4  0.1878  0.5000  0.6893  1
  Te  Te2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  4  0.0111  0.0000  0.7512  1
  Pd  Pd4  4  0.1595  0.5000  0.1549  1
  Pd  Pd5  4  0.1659  0.5000  0.4129  1
  Pd  Pd6  2  0.0000  0.0000  0.0000  1
]