data_CrOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09
_cell_length_b   8.09
_cell_length_c   8.09
_cell_angle_alpha   152.78
_cell_angle_beta   152.78
_cell_angle_gamma   38.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOs3
_chemical_formula_sum   'Cr2 Os6'
_cell_volume   110.75
_cell_formula_units_Z   2
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  0.74  1.0
  Cr  Cr1  1  0.0  0.0  0.53  1.0
  Os  Os2  1  0.0  0.9  0.0  1.0
  Os  Os3  1  0.0  0.0  0.92  1.0
  Os  Os4  1  0.0  0.0  0.35  1.0
  Os  Os5  1  0.0  0.9  0.82  1.0
  Os  Os6  1  0.9  0.0  0.82  1.0
  Os  Os7  1  0.9  0.0  0.0  1.0

data_CrOs3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   109.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrOs3
_chemical_formula_sum   'Cr4 Os12'
_cell_volume   221.51
_cell_formula_units_Z   4
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  0.26  1.0
  Cr  Cr1  2  0.0  0.0  0.47  1.0
  Os  Os2  4  0.45  0.45  0.9  1.0
  Os  Os3  4  0.45  0.55  0.09  1.0
  Os  Os4  2  0.0  0.0  0.08  1.0
  Os  Os5  2  0.0  0.0  0.65  1.0

Cr Cr Os Os Os Os Os Os
Cr Cr Os Os Os Os Os Os 0 6 - o o 0 5 o - o 0 3 o o o 1 4 o o o 2 7 - + o 3 6 - o o 3 5 o - o 