data_GaCoHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   132.3
_cell_angle_beta   132.3
_cell_angle_gamma   69.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoHg2
_chemical_formula_sum   'Ga1 Co1 Hg2'
_cell_volume   73.5
_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  Ga1  1  0.08  0.0  0.11  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.23  1.0
  Hg  Hg3  1  0.0  0.08  0.11  1.0

data_GaCoHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.16
_cell_angle_alpha   113.85
_cell_angle_beta   113.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoHg2
_chemical_formula_sum   'Ga1 Co1 Hg2'
_cell_volume   73.5
_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  0.11  0.03  0.03  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.03  0.11  0.03  1.0
  Hg  Hg3  1  0.23  0.23  0.23  1.0

Ga Co Hg Hg
Ga Co Hg Hg 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 