data_[Cs3Tl4As3]
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 [Pm]
_cell_length_a [5.8920]
_cell_length_b [9.5491]
_cell_length_c [19.8687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cs3Tl4As3]
_chemical_formula_sum '[Cs3 Tl4 As3]'
_cell_volume [1117.8736]
_cell_formula_units_Z [1]
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  2  0.3775  0.2262  0.6066  1
  Cs  Cs1  1  0.6283  0.5000  0.3799  1
  Tl  Tl2  2  0.1811  0.1745  0.4079  1
  Tl  Tl3  1  0.7112  0.0000  0.4465  1
  Tl  Tl4  1  0.9032  0.5000  0.6249  1
  As  As5  2  0.8688  0.2910  0.5111  1
  As  As6  1  0.1287  0.5000  0.4976  1
]