data_[Rb4Tl4As4Se12]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8847]
_cell_length_b [8.4610]
_cell_length_c [9.7832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbTlAsSe3]
_chemical_formula_sum '[Rb4 Tl4 As4 Se12]'
_cell_volume [863.1445]
_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  0.1127  0.5000  0.8991  1.0
  Tl  Tl1  4  0.0000  0.2664  0.5000  1.0
  As  As2  4  0.0700  0.0000  0.1529  1.0
  Se  Se3  8  0.1896  0.2313  0.2134  1.0
  Se  Se4  4  0.0781  0.0000  0.7478  1.0
]