data_[Sr2Mg1Hg6Pb1]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7945]
_cell_length_b [5.8079]
_cell_length_c [9.2735]
_cell_angle_alpha [73.9953]
_cell_angle_beta [73.3578]
_cell_angle_gamma [77.0088]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2MgHg6Pb]
_chemical_formula_sum '[Sr2 Mg1 Hg6 Pb1]'
_cell_volume [283.8023]
_cell_formula_units_Z [1]
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  0.3839  0.1204  0.1958  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.1134  0.6060  0.3273  1.0
  Hg  Hg3  2  0.2214  0.9573  0.5808  1.0
  Hg  Hg4  2  0.2519  0.4790  0.8480  1.0
  Pb  Pb5  1  0.0000  0.0000  0.0000  1.0
]