data_[Mg6Be6Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3215]
_cell_length_b [4.3215]
_cell_length_c [19.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgBeHg]
_chemical_formula_sum '[Mg6 Be6 Hg6]'
_cell_volume [319.4806]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.1838  1
  Mg  Mg1  3  0.0000  0.0000  0.3437  1
  Be  Be2  3  0.0000  0.0000  0.4738  1
  Be  Be3  3  0.0000  0.0000  0.5879  1
  Hg  Hg4  3  0.0000  0.0000  0.7651  1
  Hg  Hg5  3  0.0000  0.0000  0.9361  1
]