data_[Ca3Mg3Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9187]
_cell_length_b [7.9187]
_cell_length_c [4.4077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [CaMgHg]
_chemical_formula_sum '[Ca3 Mg3 Hg3]'
_cell_volume [239.3602]
_cell_formula_units_Z [3]
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
[
  Ca  Ca0  3  0.0000  0.4113  0.0000  1.0
  Mg  Mg1  3  0.0000  0.7554  0.5000  1.0
  Hg  Hg2  2  0.3333  0.6667  0.5000  1.0
  Hg  Hg3  1  0.0000  0.0000  0.0000  1.0
]