data_[Sr4Sn2Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.4910]
_cell_length_b [4.1827]
_cell_length_c [9.9740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr4Sn2Hg5]
_chemical_formula_sum '[Sr4 Sn2 Hg5]'
_cell_volume [353.1375]
_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
[
  Sr  Sr0  2  0.2289  0.5000  0.1420  1
  Sr  Sr1  2  0.2577  0.5000  0.6334  1
  Sn  Sn2  2  0.0736  0.0000  0.3749  1
  Hg  Hg3  2  0.1252  0.0000  0.8890  1
  Hg  Hg4  2  0.4275  0.0000  0.3613  1
  Hg  Hg5  1  0.5000  0.0000  0.0000  1
]