data_[La8Mg4Hg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4598]
_cell_length_b [19.1702]
_cell_length_c [13.3265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2MgHgTe5]
_chemical_formula_sum '[La8 Mg4 Hg4 Te20]'
_cell_volume [1139.3380]
_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  4  0.0000  0.1165  0.6883  1
  La  La1  4  0.0000  0.1334  0.3040  1
  Mg  Mg2  4  0.0000  0.2037  0.0111  1
  Hg  Hg3  4  0.0000  0.4452  0.4594  1
  Te  Te4  4  0.0000  0.0465  0.0815  1
  Te  Te5  4  0.0000  0.2870  0.6619  1
  Te  Te6  4  0.0000  0.3061  0.3479  1
  Te  Te7  4  0.0000  0.3543  0.9993  1
  Te  Te8  4  0.0000  0.4961  0.7706  1
]