data_[Rb4Pr4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5869]
_cell_length_b [16.4793]
_cell_length_c [12.0292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbPrHgTe3]
_chemical_formula_sum '[Rb4 Pr4 Hg4 Te12]'
_cell_volume [909.2756]
_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  0.2535  0.2500  1
  Pr  Pr1  4  0.0000  0.5000  0.0000  1
  Hg  Hg2  4  0.0000  0.0386  0.7500  1
  Te  Te3  8  0.0000  0.1324  0.5524  1
  Te  Te4  4  0.0000  0.4265  0.7500  1
]