data_[Sn4Hg4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1483]
_cell_length_b [4.8359]
_cell_length_c [5.2297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SnHgH]
_chemical_formula_sum '[Sn4 Hg4 H4]'
_cell_volume [315.2693]
_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
[
  Sn  Sn0  2  0.0049  0.0000  0.8750  1
  Sn  Sn1  2  0.1275  0.5000  0.8954  1
  Hg  Hg2  2  0.2903  0.0000  0.5600  1
  Hg  Hg3  2  0.4281  0.5000  0.3132  1
  H  H4  2  0.1659  0.5000  0.6022  1
  H  H5  2  0.2561  0.5000  0.1513  1
]