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 [4.6276]
_cell_length_b [16.6290]
_cell_length_c [12.1084]
_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 [931.7750]
_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  0.2453  0.2500  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0000  0.4628  0.7500  1.0
  Te  Te3  8  0.0000  0.3702  0.5534  1.0
  Te  Te4  4  0.0000  0.0730  0.7500  1.0
]