data_[Sr4In8Hg8]
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 [C2/m]
_cell_length_a [12.1872]
_cell_length_b [5.0357]
_cell_length_c [10.3468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(InHg)2]
_chemical_formula_sum '[Sr4 In8 Hg8]'
_cell_volume [550.8605]
_cell_formula_units_Z [4]
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  4  0.1732  0.5000  0.2108  1
  In  In1  4  0.0426  0.0000  0.3849  1
  In  In2  4  0.1280  0.5000  0.8168  1
  Hg  Hg3  4  0.0926  0.0000  0.9509  1
  Hg  Hg4  4  0.1687  0.5000  0.5503  1
]