data_[Sr2Y6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3068]
_cell_length_b [5.2464]
_cell_length_c [11.3629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr(YHg2)3]
_chemical_formula_sum '[Sr2 Y6 Hg12]'
_cell_volume [531.0592]
_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  0.0620  0.2500  0.3884  1
  Y  Y1  2  0.2291  0.2500  0.0052  1
  Y  Y2  2  0.3570  0.7500  0.8092  1
  Y  Y3  2  0.4853  0.2500  0.6150  1
  Hg  Hg4  2  0.0649  0.7500  0.9082  1
  Hg  Hg5  2  0.1468  0.7500  0.2055  1
  Hg  Hg6  2  0.1849  0.2500  0.7028  1
  Hg  Hg7  2  0.2705  0.7500  0.5256  1
  Hg  Hg8  2  0.3580  0.2500  0.2912  1
  Hg  Hg9  2  0.4585  0.7500  0.0927  1
]