data_[La8Er4Hg4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1526]
_cell_length_b [17.8690]
_cell_length_c [12.8408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2ErHgSe5]
_chemical_formula_sum '[La8 Er4 Hg4 Se20]'
_cell_volume [952.8104]
_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  0.1187  0.6838  1
  La  La1  4  0.0000  0.1327  0.3088  1
  Er  Er2  4  0.0000  0.1987  0.0085  1
  Hg  Hg3  4  0.0000  0.4594  0.4580  1
  Se  Se4  4  0.0000  0.0467  0.0841  1
  Se  Se5  4  0.0000  0.2894  0.6627  1
  Se  Se6  4  0.0000  0.3061  0.3512  1
  Se  Se7  4  0.0000  0.3559  0.0005  1
  Se  Se8  4  0.0000  0.4958  0.7665  1
]