data_[Sr4Mg2Hg2]
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 [Cm]
_cell_length_a [12.9399]
_cell_length_b [3.9832]
_cell_length_c [5.8846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr2MgHg]
_chemical_formula_sum '[Sr4 Mg2 Hg2]'
_cell_volume [276.2203]
_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  0.2849  0.5000  0.2961  1.0
  Sr  Sr1  2  0.4864  0.5000  0.9795  1.0
  Mg  Mg2  2  0.2053  0.0000  0.7177  1.0
  Hg  Hg3  2  0.0234  0.5000  0.5067  1.0
]