data_[Nd4Hg2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmmn]
_cell_length_a [4.3304]
_cell_length_b [6.3331]
_cell_length_c [9.2983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd2HgTe]
_chemical_formula_sum '[Nd4 Hg2 Te2]'
_cell_volume [255.0014]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.3725  1.0
  Nd  Nd1  2  0.0000  0.0000  0.8802  1.0
  Hg  Hg2  2  0.0000  0.5000  0.3766  1.0
  Te  Te3  2  0.0000  0.5000  0.8740  1.0
]