data_[Mg4Cd2Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7885]
_cell_length_b [6.4160]
_cell_length_c [8.2342]
_cell_angle_alpha [86.9891]
_cell_angle_beta [76.5711]
_cell_angle_gamma [87.9416]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg4Cd2Hg5]
_chemical_formula_sum '[Mg4 Cd2 Hg5]'
_cell_volume [245.6529]
_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  0.0466  0.7428  0.9203  1
  Mg  Mg1  2  0.3130  0.0762  0.3614  1
  Cd  Cd2  2  0.3918  0.5266  0.1855  1
  Hg  Hg3  2  0.1463  0.1828  0.7187  1
  Hg  Hg4  2  0.2287  0.6623  0.5624  1
  Hg  Hg5  1  0.5000  0.0000  0.0000  1
]