data_[Na8Tl4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7890]
_cell_length_b [4.8443]
_cell_length_c [11.1946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2TlAs2]
_chemical_formula_sum '[Na8 Tl4 As8]'
_cell_volume [525.6841]
_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
[
  Na  Na0  4  0.0366  0.0000  0.7271  1
  Na  Na1  4  0.1762  0.0000  0.0891  1
  Tl  Tl2  4  0.2058  0.5000  0.3706  1
  As  As3  4  0.0307  0.5000  0.9050  1
  As  As4  4  0.1189  0.5000  0.5949  1
]