data_[Cs8Tl4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.9221]
_cell_length_b [14.9917]
_cell_length_c [7.9630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2TlAs2]
_chemical_formula_sum '[Cs8 Tl4 As8]'
_cell_volume [888.2025]
_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
[
  Cs  Cs0  8  0.1875  0.3633  0.2877  1
  Tl  Tl1  4  0.0000  0.1404  0.0000  1
  As  As2  4  0.1125  0.0000  0.2968  1
  As  As3  4  0.2127  0.5000  0.8998  1
]