data_[Hg4Ge4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.0128]
_cell_length_b [3.9734]
_cell_length_c [4.1575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgGeSe]
_chemical_formula_sum '[Hg4 Ge4 Se4]'
_cell_volume [363.6318]
_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
[
  Hg  Hg0  4  0.0593  0.5000  0.7480  1.0
  Ge  Ge1  4  0.1900  0.0000  0.7981  1.0
  Se  Se2  4  0.1934  0.5000  0.2464  1.0
]