data_[Li1Hg3Ge1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [6.8186]
_cell_length_b [6.8186]
_cell_length_c [6.8186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [215]
_chemical_formula_structural [LiHg3GeTe4]
_chemical_formula_sum '[Li1 Hg3 Ge1 Te4]'
_cell_volume [317.0252]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.5000  0.5000  0.5000  1
  Hg  Hg1  3  0.0000  0.0000  0.5000  1
  Ge  Ge2  1  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.2506  0.2506  0.7494  1
]