data_[Mg5Hg6Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9436]
_cell_length_b [7.1233]
_cell_length_c [7.6560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg5Hg6Ge]
_chemical_formula_sum '[Mg5 Hg6 Ge1]'
_cell_volume [259.4583]
_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
[
  Mg  Mg0  2  0.3251  0.5000  0.6668  1
  Mg  Mg1  2  0.3282  0.0000  0.6771  1
  Mg  Mg2  1  0.0000  0.5000  0.0000  1
  Hg  Hg3  4  0.1779  0.2516  0.3396  1
  Hg  Hg4  2  0.5000  0.2607  0.0000  1
  Ge  Ge5  1  0.0000  0.0000  0.0000  1
]