data_Cr5Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Os
_chemical_formula_sum   'Cr5 Os1'
_cell_volume   72.31
_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
  Cr  Cr0  1  0.0  0.0  0.79  1.0
  Cr  Cr1  1  0.0  0.0  0.05  1.0
  Cr  Cr2  1  0.43  0.43  0.43  1.0
  Cr  Cr3  1  0.43  0.43  0.41  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0
  Os  Os5  1  0.43  0.43  0.42  1.0

data_Cr5Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr5Os
_chemical_formula_sum   'Cr10 Os2'
_cell_volume   144.62
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.05  1.0
  Cr  Cr2  2  0.0  0.0  0.79  1.0
  Cr  Cr3  2  0.43  0.0  0.41  1.0
  Cr  Cr4  2  0.43  0.0  0.43  1.0
  Os  Os5  2  0.43  0.0  0.42  1.0

Cr Cr Cr Cr Cr Os
Cr Cr Cr Cr Cr Os 0 4 o o + 1 4 o o o 2 5 o o o 3 5 o o o 