data_[Sr4In4Hg14]
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 [10.0215]
_cell_length_b [11.0763]
_cell_length_c [5.7890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2In2Hg7]
_chemical_formula_sum '[Sr4 In4 Hg14]'
_cell_volume [625.3083]
_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  4  0.2279  0.0000  0.1252  1
  In  In1  4  0.0000  0.2683  0.0000  1
  Hg  Hg2  8  0.1824  0.2077  0.6807  1
  Hg  Hg3  4  0.0786  0.5000  0.3077  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
]