data_[Ce4In4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.8094]
_cell_length_b [4.7100]
_cell_length_c [13.3204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeInHgTe3]
_chemical_formula_sum '[Ce4 In4 Hg4 Te12]'
_cell_volume [803.6427]
_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
[
  Ce  Ce0  4  0.0271  0.7500  0.8107  1
  In  In1  4  0.1839  0.7500  0.5095  1
  Hg  Hg2  4  0.2430  0.2500  0.7031  1
  Te  Te3  4  0.0316  0.2500  0.6386  1
  Te  Te4  4  0.0900  0.7500  0.0620  1
  Te  Te5  4  0.2161  0.2500  0.3256  1
]