data_[Rb12Bi4Te12]
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 [10.0395]
_cell_length_b [15.3836]
_cell_length_c [9.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3BiTe3]
_chemical_formula_sum '[Rb12 Bi4 Te12]'
_cell_volume [1419.2184]
_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  4  0.0000  0.1730  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2285  0.0000  1.0
  Rb  Rb2  4  0.1189  0.5000  0.3690  1.0
  Bi  Bi3  4  0.2000  0.0000  0.1360  1.0
  Te  Te4  8  0.1798  0.3460  0.7127  1.0
  Te  Te5  4  0.0755  0.0000  0.7817  1.0
]