data_[Sr4In2Hg2]
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 [13.1258]
_cell_length_b [3.9308]
_cell_length_c [5.7225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr2InHg]
_chemical_formula_sum '[Sr4 In2 Hg2]'
_cell_volume [268.0811]
_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  0.2809  0.5000  0.2887  1.0
  Sr  Sr1  2  0.4833  0.5000  0.9767  1.0
  In  In2  2  0.2172  0.0000  0.7264  1.0
  Hg  Hg3  2  0.0186  0.5000  0.5082  1.0
]