data_[Sr6Ag8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [29.5180]
_cell_length_b [4.2109]
_cell_length_c [4.9773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(AgHg)4]
_chemical_formula_sum '[Sr6 Ag8 Hg8]'
_cell_volume [611.9914]
_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  0.1428  0.0000  0.1437  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.0475  0.5000  0.0498  1.0
  Ag  Ag3  4  0.1887  0.5000  0.6908  1.0
  Hg  Hg4  4  0.0931  0.5000  0.5892  1.0
  Hg  Hg5  4  0.2394  0.5000  0.2375  1.0
]