data_[Cs2La2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [10.1460]
_cell_length_b [4.7234]
_cell_length_c [11.3235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLaHgTe3]
_chemical_formula_sum '[Cs2 La2 Hg2 Te6]'
_cell_volume [513.4085]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.2260  0.2500  0.2576  1.0
  La  La1  2  0.3206  0.7500  0.8623  1.0
  Hg  Hg2  2  0.0903  0.2500  0.6224  1.0
  Te  Te3  2  0.1002  0.2500  0.8735  1.0
  Te  Te4  2  0.2132  0.7500  0.5465  1.0
  Te  Te5  2  0.4718  0.7500  0.1568  1.0
]