data_HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMo
_chemical_formula_sum   'Hg2 Mo2'
_cell_volume   77.63
_cell_formula_units_Z   2
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
  Hg  Hg0  1  0.62  0.77  0.37  1.0
  Hg  Hg1  1  0.62  0.23  0.41  1.0
  Mo  Mo2  1  0.62  0.77  0.92  1.0
  Mo  Mo3  1  0.62  0.23  0.86  1.0

data_HgMo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.31
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgMo
_chemical_formula_sum   'Hg2 Mo2'
_cell_volume   77.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Hg  Hg0  2  0.5  0.23  0.02  1.0
  Mo  Mo1  2  0.5  0.23  0.47  1.0

Hg Hg Mo Mo