data_[Sr4Li2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5890]
_cell_length_b [4.0045]
_cell_length_c [5.7150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr2LiHg]
_chemical_formula_sum '[Sr4 Li2 Hg2]'
_cell_volume [271.3527]
_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  0.0109  0.0000  0.0320  1.0
  Sr  Sr1  2  0.2172  0.0000  0.6865  1.0
  Li  Li2  2  0.2983  0.5000  0.2734  1.0
  Hg  Hg3  2  0.4736  0.0000  0.5081  1.0
]