data_[Sr2Mg1Hg6Bi1]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4427]
_cell_length_b [6.7198]
_cell_length_c [8.4008]
_cell_angle_alpha [76.9747]
_cell_angle_beta [79.9348]
_cell_angle_gamma [80.7609]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2MgHg6Bi]
_chemical_formula_sum '[Sr2 Mg1 Hg6 Bi1]'
_cell_volume [292.3776]
_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  0.4296  0.0749  0.2462  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.0718  0.2258  0.5719  1.0
  Hg  Hg3  2  0.1152  0.6002  0.7954  1.0
  Hg  Hg4  2  0.3596  0.6060  0.1553  1.0
  Bi  Bi5  1  0.0000  0.0000  0.0000  1.0
]