data_[Sr12Mg4Hg28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1733]
_cell_length_b [22.4220]
_cell_length_c [14.2065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3MgHg7]
_chemical_formula_sum '[Sr12 Mg4 Hg28]'
_cell_volume [1329.3698]
_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  8  0.0000  0.0944  0.0457  1
  Sr  Sr1  4  0.0000  0.2494  0.7500  1
  Mg  Mg2  4  0.0000  0.0540  0.7500  1
  Hg  Hg3  8  0.0000  0.2915  0.5354  1
  Hg  Hg4  8  0.0000  0.3547  0.1471  1
  Hg  Hg5  8  0.0000  0.4858  0.1129  1
  Hg  Hg6  4  0.0000  0.4037  0.7500  1
]