data_Mo5Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   26.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo5Cl
_chemical_formula_sum   'Mo5 Cl1'
_cell_volume   99.42
_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
  Mo  Mo1  1  0.0  0.0  0.9  1.0
  Mo  Mo2  1  0.0  0.0  0.26  1.0
  Mo  Mo3  1  0.41  0.0  0.58  1.0
  Mo  Mo4  1  0.41  0.0  0.96  1.0
  Mo  Mo5  1  0.41  0.0  0.83  1.0
  Cl  Cl0  1  0.0  0.0  0.07  1.0

data_Mo5Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.83
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   103.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo5Cl
_chemical_formula_sum   'Mo5 Cl1'
_cell_volume   99.42
_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
  Mo  Mo0  1  0.04  0.41  0.04  1.0
  Mo  Mo1  1  0.1  0.0  0.1  1.0
  Mo  Mo2  1  0.17  0.41  0.17  1.0
  Mo  Mo3  1  0.42  0.41  0.42  1.0
  Mo  Mo4  1  0.74  0.0  0.74  1.0
  Cl  Cl5  1  0.93  0.0  0.93  1.0

Mo Mo Mo Mo Mo Cl