data_[Sr4Al2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5429]
_cell_length_b [4.8268]
_cell_length_c [9.2193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr2AlHg]
_chemical_formula_sum '[Sr4 Al2 Hg2]'
_cell_volume [272.2795]
_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  2  0.2169  0.2500  0.4307  1.0
  Sr  Sr1  2  0.2837  0.7500  0.0756  1.0
  Al  Al2  2  0.1523  0.2500  0.7840  1.0
  Hg  Hg3  2  0.3412  0.7500  0.7196  1.0
]