data_HgMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   2.89
_cell_angle_alpha   101.87
_cell_angle_beta   101.87
_cell_angle_gamma   119.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMo2Cl
_chemical_formula_sum   'Hg1 Mo2 Cl1'
_cell_volume   72.05
_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
  Hg  Hg1  1  0.82  0.0  0.0  1.0
  Mo  Mo2  1  0.82  0.58  0.32  1.0
  Mo  Mo3  1  0.82  0.42  0.32  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HgMo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.18
_cell_length_c   5.6
_cell_angle_alpha   115.67
_cell_angle_beta   101.87
_cell_angle_gamma   96.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMo2Cl
_chemical_formula_sum   'Hg1 Mo2 Cl1'
_cell_volume   72.05
_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
  Hg  Hg0  1  0.0  0.0  0.82  1.0
  Mo  Mo1  1  0.74  0.42  0.24  1.0
  Mo  Mo2  1  0.9  0.58  0.4  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hg Mo Mo Cl
Hg Mo Mo Cl 0 3 + o o 1 2 o o o 