data_[Ga6Sn1Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0703]
_cell_length_b [8.1648]
_cell_length_c [5.0882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ga6SnHg]
_chemical_formula_sum '[Ga6 Sn1 Hg1]'
_cell_volume [169.0963]
_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  0.0000  0.2394  0.7866  1
  Ga  Ga1  2  0.5000  0.2510  0.2177  1
  Ga  Ga2  1  0.0000  0.5000  0.1948  1
  Ga  Ga3  1  0.5000  0.0000  0.7971  1
  Sn  Sn4  1  0.5000  0.5000  0.6756  1
  Hg  Hg5  1  0.0000  0.0000  0.3241  1
]