data_GaHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   150.96
_cell_angle_beta   61.07
_cell_angle_gamma   127.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHg3
_chemical_formula_sum   'Ga1 Hg3'
_cell_volume   100.43
_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  1  0.0  0.0  0.02  1.0
  Hg  Hg1  1  0.61  0.0  0.75  1.0
  Hg  Hg2  1  0.61  0.63  0.09  1.0
  Hg  Hg3  1  0.0  0.89  0.92  1.0

data_GaHg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.66
_cell_length_c   6.41
_cell_angle_alpha   116.22
_cell_angle_beta   104.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHg3
_chemical_formula_sum   'Ga1 Hg3'
_cell_volume   100.43
_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  1  -0.0  0.98  0.98  1.0
  Hg  Hg1  1  0.02  0.55  0.94  1.0
  Hg  Hg2  1  0.39  0.25  0.65  1.0
  Hg  Hg3  1  0.89  0.97  0.97  1.0

Ga Hg Hg Hg