data_[Al4Ga4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2069]
_cell_length_b [3.1954]
_cell_length_c [5.6148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlGaHg]
_chemical_formula_sum '[Al4 Ga4 Hg4]'
_cell_volume [256.0643]
_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
[
  Al  Al0  4  0.0032  0.0000  0.7420  1.0
  Ga  Ga1  4  0.1206  0.5000  0.1223  1.0
  Hg  Hg2  4  0.1818  0.0000  0.6857  1.0
]