data_[Rb12Si4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2112]
_cell_length_b [12.0868]
_cell_length_c [11.1010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Rb3SiTe4]
_chemical_formula_sum '[Rb12 Si4 Te16]'
_cell_volume [1370.0918]
_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  8  0.0395  0.0459  0.3081  1
  Rb  Rb1  4  0.1562  0.7500  0.0897  1
  Si  Si2  4  0.2477  0.7500  0.5398  1
  Te  Te3  8  0.1454  0.0693  0.9675  1
  Te  Te4  4  0.0382  0.7500  0.4161  1
  Te  Te5  4  0.2076  0.7500  0.7622  1
]