data_GaHgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgMo2
_chemical_formula_sum   'Ga1 Hg1 Mo2'
_cell_volume   69.49
_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  0.03  1.0
  Hg  Hg1  1  0.65  0.65  0.76  1.0
  Mo  Mo2  1  0.0  0.0  0.27  1.0
  Mo  Mo3  1  0.65  0.65  0.53  1.0

data_GaHgMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaHgMo2
_chemical_formula_sum   'Ga2 Hg2 Mo4'
_cell_volume   138.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.03  1.0
  Hg  Hg1  2  0.15  0.5  0.76  1.0
  Mo  Mo2  2  0.0  0.0  0.27  1.0
  Mo  Mo3  2  0.15  0.5  0.53  1.0

Ga Hg Mo Mo
Ga Hg Mo Mo 0 2 o o o 1 3 o o o 