data_[Cu2Te4As4Pd14]
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
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9675]
_cell_length_b [3.9675]
_cell_length_c [29.5512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [CuTe2As2Pd7]
_chemical_formula_sum '[Cu2 Te4 As4 Pd14]'
_cell_volume [465.1672]
_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  0.0000  0.0000  0.2081  1.0
  As  As2  4  0.0000  0.0000  0.3843  1.0
  Pd  Pd3  8  0.0000  0.5000  0.0660  1.0
  Pd  Pd4  4  0.0000  0.0000  0.3005  1.0
  Pd  Pd5  2  0.0000  0.0000  0.5000  1.0
]