data_[Rb4Ti4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0409]
_cell_length_b [15.2532]
_cell_length_c [7.3773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbTiHgTe3]
_chemical_formula_sum '[Rb4 Ti4 Hg4 Te12]'
_cell_volume [885.0743]
_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  0.2554  0.7500  1
  Ti  Ti1  4  0.0000  0.0543  0.2500  1
  Hg  Hg2  4  0.0000  0.4214  0.2500  1
  Te  Te3  8  0.2284  0.0322  0.0138  1
  Te  Te4  4  0.0000  0.2249  0.2500  1
]