data_[Sr4In5Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1806]
_cell_length_b [3.9798]
_cell_length_c [10.6437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr4In5Hg2]
_chemical_formula_sum '[Sr4 In5 Hg2]'
_cell_volume [345.4827]
_cell_formula_units_Z [1]
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  0.1713  0.5000  0.8809  1
  Sr  Sr1  2  0.2670  0.5000  0.4409  1
  In  In2  2  0.1992  0.0000  0.1594  1
  In  In3  2  0.4457  0.0000  0.7060  1
  In  In4  1  0.5000  0.0000  0.0000  1
  Hg  Hg5  2  0.0626  0.0000  0.6383  1
]