data_[Te4As4Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [9.8446]
_cell_length_b [7.9349]
_cell_length_c [8.3992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TeAsPd6]
_chemical_formula_sum '[Te4 As4 Pd24]'
_cell_volume [591.4015]
_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
[
  Te  Te0  4  0.2500  0.2500  0.0000  1
  As  As1  4  0.2500  0.2500  0.5000  1
  Pd  Pd2  8  0.0912  0.3183  0.1830  1
  Pd  Pd3  8  0.1062  0.3297  0.6664  1
  Pd  Pd4  4  0.0516  0.0000  0.8501  1
  Pd  Pd5  4  0.1492  0.0000  0.5720  1
]