data_[Cs4Tl2P4Se12]
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 [C2/m]
_cell_length_a [13.4865]
_cell_length_b [7.5504]
_cell_length_c [8.9497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl(PSe3)2]
_chemical_formula_sum '[Cs4 Tl2 P4 Se12]'
_cell_volume [780.6793]
_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  4  0.2260  0.5000  0.2394  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  P  P2  4  0.0312  0.0000  0.1477  1.0
  Se  Se3  8  0.0449  0.2420  0.8157  1.0
  Se  Se4  4  0.2209  0.0000  0.2907  1.0
]