data_[Rb1Tl1Zn1Ge1Se1]
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
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4729]
_cell_length_b [3.9313]
_cell_length_c [8.8505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [RbTlZnGeSe]
_chemical_formula_sum '[Rb1 Tl1 Zn1 Ge1 Se1]'
_cell_volume [155.1683]
_cell_formula_units_Z [1]
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  1  0.9594  0.5000  0.9219  1
  Tl  Tl1  1  0.0084  0.0000  0.3317  1
  Zn  Zn2  1  0.4704  0.5000  0.5620  1
  Ge  Ge3  1  0.5083  0.5000  0.2837  1
  Se  Se4  1  0.4194  0.0000  0.7226  1
]