data_[Na4La4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8806]
_cell_length_b [4.5251]
_cell_length_c [9.0675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLaHgTe3]
_chemical_formula_sum '[Na4 La4 Hg4 Te12]'
_cell_volume [828.9863]
_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
[
  Na  Na0  4  0.1194  0.0000  0.0863  1
  La  La1  4  0.1746  0.0000  0.6006  1
  Hg  Hg2  4  0.0445  0.5000  0.7262  1
  Te  Te3  4  0.1697  0.5000  0.3533  1
  Te  Te4  4  0.1831  0.5000  0.8621  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
  Te  Te6  2  0.0000  0.5000  0.0000  1
]