data_[Rb4Tl4P4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [12.3912]
_cell_length_b [8.3196]
_cell_length_c [9.4003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbTlPSe3]
_chemical_formula_sum '[Rb4 Tl4 P4 Se12]'
_cell_volume [828.4966]
_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
[
  Rb  Rb0  4  0.1856  0.5000  0.2080  1.0
  Tl  Tl1  4  0.0000  0.3038  0.5000  1.0
  P  P2  4  0.0164  0.0000  0.1338  1.0
  Se  Se3  8  0.0828  0.2179  0.8620  1.0
  Se  Se4  4  0.2213  0.0000  0.3286  1.0
]