data_[Sr2In10Hg14]
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 [Cm]
_cell_length_a [11.1921]
_cell_length_b [11.8137]
_cell_length_c [6.3306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrIn5Hg7]
_chemical_formula_sum '[Sr2 In10 Hg14]'
_cell_volume [728.8652]
_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  0.0603  0.0000  0.0602  1.0
  In  In1  4  0.1915  0.2580  0.4956  1.0
  In  In2  4  0.3189  0.2002  0.0725  1.0
  In  In3  2  0.1218  0.5000  0.2050  1.0
  Hg  Hg4  4  0.0246  0.2882  0.8756  1.0
  Hg  Hg5  4  0.4352  0.3765  0.4512  1.0
  Hg  Hg6  2  0.2227  0.5000  0.7940  1.0
  Hg  Hg7  2  0.2431  0.0000  0.7099  1.0
  Hg  Hg8  2  0.4118  0.0000  0.4412  1.0
]