data_[Mg3Ag12Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1186]
_cell_length_b [4.1186]
_cell_length_c [17.1926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mg3Ag12Hg]
_chemical_formula_sum '[Mg3 Ag12 Hg1]'
_cell_volume [291.6376]
_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  0.0000  0.0000  0.2524  1
  Mg  Mg1  1  0.0000  0.0000  0.5000  1
  Ag  Ag2  4  0.0000  0.5000  0.1296  1
  Ag  Ag3  4  0.0000  0.5000  0.3761  1
  Ag  Ag4  2  0.5000  0.5000  0.2523  1
  Ag  Ag5  1  0.5000  0.5000  0.0000  1
  Ag  Ag6  1  0.5000  0.5000  0.5000  1
  Hg  Hg7  1  0.0000  0.0000  0.0000  1
]