data_[Cs2Tl2P2Se8]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7313]
_cell_length_b [7.4195]
_cell_length_c [9.9291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTlPSe4]
_chemical_formula_sum '[Cs2 Tl2 P2 Se8]'
_cell_volume [470.7159]
_cell_formula_units_Z [2]
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  0.2634  0.2500  0.0819  1
  Tl  Tl1  2  0.2300  0.2500  0.5241  1
  P  P2  2  0.1567  0.7500  0.3108  1
  Se  Se3  4  0.0551  0.0088  0.7194  1
  Se  Se4  2  0.3293  0.7500  0.1577  1
  Se  Se5  2  0.3626  0.7500  0.5365  1
]