data_[Mg4Re4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.4650]
_cell_length_b [5.2302]
_cell_length_c [9.4726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [MgReHg]
_chemical_formula_sum '[Mg4 Re4 Hg4]'
_cell_volume [221.2095]
_cell_formula_units_Z [4]
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  4  0.2500  0.3309  0.2613  1
  Re  Re1  4  0.2500  0.3797  0.6078  1
  Hg  Hg2  4  0.2500  0.3221  0.9287  1
]