data_[Sr4Mg8Hg40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.4082]
_cell_length_b [13.9837]
_cell_length_c [15.0470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sr(MgHg5)2]
_chemical_formula_sum '[Sr4 Mg8 Hg40]'
_cell_volume [1348.3686]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  8  0.2500  0.0000  0.2500  1.0
  Hg  Hg2  16  0.0000  0.1079  0.3875  1.0
  Hg  Hg3  16  0.0000  0.1645  0.1757  1.0
  Hg  Hg4  8  0.2500  0.2500  0.0000  1.0
]