data_[Sr2Mg6Hg6]
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 [P2_1/m]
_cell_length_a [8.8711]
_cell_length_b [4.9302]
_cell_length_c [9.2192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr(MgHg)3]
_chemical_formula_sum '[Sr2 Mg6 Hg6]'
_cell_volume [354.1214]
_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  0.4318  0.7500  0.6555  1
  Mg  Mg1  2  0.0466  0.2500  0.6407  1
  Mg  Mg2  2  0.1156  0.2500  0.0417  1
  Mg  Mg3  2  0.2229  0.7500  0.9106  1
  Hg  Hg4  2  0.1467  0.2500  0.3843  1
  Hg  Hg5  2  0.2590  0.7500  0.2426  1
  Hg  Hg6  2  0.3885  0.2500  0.9084  1
]