data_[Cs4La2Hg4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0595]
_cell_length_b [4.4102]
_cell_length_c [8.9182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2La(HgSe2)2]
_chemical_formula_sum '[Cs4 La2 Hg4 Se8]'
_cell_volume [622.2685]
_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  4  0.1287  0.0000  0.5670  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1882  0.5000  0.0130  1.0
  Se  Se3  4  0.0258  0.5000  0.7852  1.0
  Se  Se4  4  0.1877  0.0000  0.2095  1.0
]