data_[La8Pr4Hg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [Cm]
_cell_length_a [19.2156]
_cell_length_b [4.4942]
_cell_length_c [13.8334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La2PrHgTe5]
_chemical_formula_sum '[La8 Pr4 Hg4 Te20]'
_cell_volume [1193.9347]
_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
[
  La  La0  2  0.1220  0.0000  0.3181  1.0
  La  La1  2  0.1242  0.0000  0.6917  1.0
  La  La2  2  0.3749  0.5000  0.2005  1.0
  La  La3  2  0.3776  0.5000  0.8177  1.0
  Pr  Pr4  2  0.1950  0.0000  0.9969  1.0
  Pr  Pr5  2  0.3146  0.5000  0.5022  1.0
  Hg  Hg6  2  0.0521  0.5000  0.0331  1.0
  Hg  Hg7  2  0.4341  0.0000  0.5277  1.0
  Te  Te8  2  0.0042  0.5000  0.2210  1.0
  Te  Te9  2  0.0398  0.0000  0.9069  1.0
  Te  Te10  2  0.1454  0.5000  0.5013  1.0
  Te  Te11  2  0.1962  0.5000  0.1642  1.0
  Te  Te12  2  0.2049  0.5000  0.8346  1.0
  Te  Te13  2  0.2950  0.0000  0.3338  1.0
  Te  Te14  2  0.2964  0.0000  0.6732  1.0
  Te  Te15  2  0.3604  0.0000  0.0035  1.0
  Te  Te16  2  0.4678  0.5000  0.4048  1.0
  Te  Te17  2  0.4956  0.0000  0.7209  1.0
]