data_[Cs4Gd4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Gd  1.2000  1.8000  1.0750
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4598]
_cell_length_b [4.5529]
_cell_length_c [10.1248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsGdHgTe3]
_chemical_formula_sum '[Cs4 Gd4 Hg4 Te12]'
_cell_volume [928.2193]
_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
[
  Cs  Cs0  4  0.1469  0.0000  0.5611  1
  Gd  Gd1  4  0.1711  0.0000  0.0642  1
  Hg  Hg2  4  0.0238  0.5000  0.2197  1
  Te  Te3  4  0.1681  0.5000  0.2712  1
  Te  Te4  4  0.1762  0.5000  0.8611  1
  Te  Te5  2  0.0000  0.0000  0.0000  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]