data_[Rb4Hg4Sb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5913]
_cell_length_b [16.2353]
_cell_length_c [12.0485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [RbHgSbTe3]
_chemical_formula_sum '[Rb4 Hg4 Sb4 Te12]'
_cell_volume [898.1095]
_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  0.2484  0.7463  1.0
  Hg  Hg1  4  0.0000  0.4518  0.2562  1.0
  Sb  Sb2  4  0.0000  0.0087  0.0107  1.0
  Te  Te3  4  0.0000  0.0660  0.2396  1.0
  Te  Te4  4  0.0000  0.3665  0.4601  1.0
  Te  Te5  4  0.0000  0.3767  0.0424  1.0
]