data_[Rb4Te2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4896]
_cell_length_b [8.3431]
_cell_length_c [7.8740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2TeSe6]
_chemical_formula_sum '[Rb4 Te2 Se12]'
_cell_volume [641.3997]
_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
[
  Rb  Rb0  4  0.1517  0.5000  0.2935  1.0
  Te  Te1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  8  0.1390  0.2339  0.8705  1.0
  Se  Se3  4  0.0000  0.1424  0.5000  1.0
]