data_[Te24As16]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [12.5476]
_cell_length_b [12.8845]
_cell_length_c [7.5168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Te3As2]
_chemical_formula_sum '[Te24 As16]'
_cell_volume [1215.2358]
_cell_formula_units_Z [8]
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  16  0.0983  0.1965  0.5321  1.0
  Te  Te1  8  0.0000  0.0000  0.8479  1.0
  As  As2  16  0.0553  0.1232  0.1689  1.0
]