data_[Rb4Tl4Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9024]
_cell_length_b [4.7527]
_cell_length_c [7.2406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbTlSe]
_chemical_formula_sum '[Rb4 Tl4 Se4]'
_cell_volume [456.4091]
_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  2  0.0246  0.5000  0.1779  1.0
  Rb  Rb1  2  0.1697  0.0000  0.7787  1.0
  Tl  Tl2  2  0.3413  0.5000  0.2821  1.0
  Tl  Tl3  2  0.4126  0.0000  0.6359  1.0
  Se  Se4  2  0.2113  0.0000  0.2978  1.0
  Se  Se5  2  0.3612  0.5000  0.8550  1.0
]