data_[Tl8Ge4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1368]
_cell_length_b [6.3884]
_cell_length_c [8.3674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2GeAs2]
_chemical_formula_sum '[Tl8 Ge4 As8]'
_cell_volume [582.0061]
_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  0.0786  0.0000  0.8756  1
  Tl  Tl1  4  0.2114  0.5000  0.6295  1
  Ge  Ge2  4  0.1371  0.5000  0.1572  1
  As  As3  4  0.0337  0.5000  0.8027  1
  As  As4  4  0.1508  0.0000  0.5958  1
]