data_Cr8Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   95.71
_cell_angle_beta   95.71
_cell_angle_gamma   143.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr8Os
_chemical_formula_sum   'Cr8 Os1'
_cell_volume   109.5
_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  0.6  0.0  1.0
  Cr  Cr1  1  0.0  0.16  0.0  1.0
  Cr  Cr2  1  0.16  0.0  0.0  1.0
  Cr  Cr3  1  0.3  0.7  0.82  1.0
  Cr  Cr4  1  0.3  0.3  0.82  1.0
  Cr  Cr5  1  0.6  0.0  0.0  1.0
  Cr  Cr6  1  0.57  0.57  0.0  1.0
  Cr  Cr7  1  0.7  0.3  0.82  1.0
  Os  Os8  1  0.0  0.0  0.0  1.0

data_Cr8Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.64
_cell_length_b   10.96
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   108.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr8Os
_chemical_formula_sum   'Cr16 Os2'
_cell_volume   219.0
_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  4  0.0  0.3  0.18  1.0
  Cr  Cr1  4  0.2  0.2  0.0  1.0
  Cr  Cr2  4  0.42  0.42  0.0  1.0
  Cr  Cr3  2  0.2  0.5  0.18  1.0
  Cr  Cr4  2  0.43  0.0  0.0  1.0
  Os  Os5  2  0.0  0.0  0.0  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Os