data_[Sr4Sn10Hg8]
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 [Immm]
_cell_length_a [6.1369]
_cell_length_b [9.4649]
_cell_length_c [11.0791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr2Sn5Hg4]
_chemical_formula_sum '[Sr4 Sn10 Hg8]'
_cell_volume [643.5234]
_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
[
  Sr  Sr0  4  0.0000  0.5000  0.1871  1.0
  Sn  Sn1  8  0.2455  0.3268  0.5000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  8  0.0000  0.1638  0.2522  1.0
]