data_[Cs2Y2Hg2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0125]
_cell_length_b [4.1697]
_cell_length_c [10.4068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsYHgS3]
_chemical_formula_sum '[Cs2 Y2 Hg2 S6]'
_cell_volume [365.5772]
_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  0.2631  0.7500  0.7436  1
  Y  Y1  2  0.1716  0.2500  0.1316  1
  Hg  Hg2  2  0.4104  0.7500  0.3805  1
  S  S3  2  0.0248  0.2500  0.8591  1
  S  S4  2  0.2737  0.2500  0.4406  1
  S  S5  2  0.3829  0.7500  0.1327  1
]