data_[Rb16Bi4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.0549]
_cell_length_b [6.2857]
_cell_length_c [8.9156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb8Bi2Te]
_chemical_formula_sum '[Rb16 Bi4 Te2]'
_cell_volume [1146.7725]
_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  0.0180  0.0000  0.7770  1.0
  Rb  Rb1  4  0.1002  0.5000  0.4349  1.0
  Rb  Rb2  4  0.1656  0.5000  0.9487  1.0
  Rb  Rb3  4  0.2111  0.0000  0.2983  1.0
  Bi  Bi4  4  0.1699  0.0000  0.6759  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
]