data_[Tl8In4Te16As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.9398]
_cell_length_b [8.9756]
_cell_length_c [12.7085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tl2InTe4As]
_chemical_formula_sum '[Tl8 In4 Te16 As4]'
_cell_volume [1019.7414]
_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
[
  Tl  Tl0  4  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.2500  0.2500  0.2500  1
  In  In2  4  0.0000  0.0000  0.5000  1
  Te  Te3  8  0.0000  0.0293  0.7405  1
  Te  Te4  8  0.2306  0.2500  0.5148  1
  As  As5  4  0.2500  0.2500  0.7500  1
]