data_[K4Nd4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  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 [20.7000]
_cell_length_b [4.5584]
_cell_length_c [9.6320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNdHgTe3]
_chemical_formula_sum '[K4 Nd4 Hg4 Te12]'
_cell_volume [887.4033]
_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
[
  K  K0  4  0.1355  0.0000  0.5716  1
  Nd  Nd1  4  0.1741  0.0000  0.0825  1
  Hg  Hg2  4  0.0340  0.5000  0.2218  1
  Te  Te3  4  0.1715  0.5000  0.8571  1
  Te  Te4  4  0.1766  0.5000  0.3142  1
  Te  Te5  2  0.0000  0.0000  0.0000  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]