data_[Ga4Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7929]
_cell_length_b [5.0324]
_cell_length_c [6.1004]
_cell_angle_alpha [109.1679]
_cell_angle_beta [102.1060]
_cell_angle_gamma [98.1454]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ga4Hg]
_chemical_formula_sum '[Ga4 Hg1]'
_cell_volume [104.7069]
_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
[
  Ga  Ga0  2  0.0821  0.5734  0.7299  1
  Ga  Ga1  2  0.2520  0.1820  0.9312  1
  Hg  Hg2  1  0.5000  0.0000  0.5000  1
]