data_[Cu4Te4Pd12]
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 [P2_1/c]
_cell_length_a [7.5872]
_cell_length_b [4.9601]
_cell_length_c [9.1241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuTePd3]
_chemical_formula_sum '[Cu4 Te4 Pd12]'
_cell_volume [342.3681]
_cell_formula_units_Z [4]
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  0.0285  0.7499  0.5045  1.0
  Te  Te1  4  0.3713  0.6066  0.6332  1.0
  Pd  Pd2  4  0.0913  0.0548  0.2556  1.0
  Pd  Pd3  4  0.2732  0.5499  0.3419  1.0
  Pd  Pd4  4  0.3106  0.0963  0.5314  1.0
]