data_Os5Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.54
_cell_angle_alpha   102.01
_cell_angle_beta   102.01
_cell_angle_gamma   30.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os5Cl
_chemical_formula_sum   'Os5 Cl1'
_cell_volume   89.44
_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
  Os  Os1  1  0.35  0.0  0.2  1.0
  Os  Os2  1  0.31  0.0  0.16  1.0
  Os  Os3  1  0.48  0.0  0.72  1.0
  Os  Os4  1  0.63  0.0  0.82  1.0
  Os  Os5  1  0.93  0.0  0.87  1.0
  Cl  Cl0  1  0.19  0.0  0.34  1.0

data_Os5Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.24
_cell_length_c   6.54
_cell_angle_alpha   102.01
_cell_angle_beta   90.0
_cell_angle_gamma   105.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os5Cl
_chemical_formula_sum   'Os5 Cl1'
_cell_volume   89.44
_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
  Os  Os0  1  0.0  0.07  0.13  1.0
  Os  Os1  1  0.0  0.37  0.18  1.0
  Os  Os2  1  0.0  0.52  0.28  1.0
  Os  Os3  1  0.0  0.65  0.8  1.0
  Os  Os4  1  0.0  0.69  0.84  1.0
  Cl  Cl5  1  0.0  0.81  0.66  1.0

Os Os Os Os Os Cl
Os Os Os Os Os Cl 0 1 o o o 0 5 o o o 1 5 o o o 2 3 o o o 3 4 o o o 