data_CrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   6.48
_cell_angle_alpha   91.1
_cell_angle_beta   91.1
_cell_angle_gamma   60.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOs2
_chemical_formula_sum   'Cr1 Os2'
_cell_volume   40.72
_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  0.0  1.0
  Os  Os1  1  0.45  0.0  0.4  1.0
  Os  Os2  1  0.03  0.0  0.08  1.0

data_CrOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.68
_cell_length_b   4.68
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   91.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrOs2
_chemical_formula_sum   'Cr2 Os4'
_cell_volume   81.45
_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
  Os  Os1  2  0.03  0.0  0.08  1.0
  Os  Os2  2  0.45  0.0  0.4  1.0

Cr Os Os
Cr Os Os 0 2 o o o 0 1 o o o 0 1 - o o 1 1 o + o 1 1 + - o 1 1 + o o 1 2 o o o 1 2 + - o 1 2 + o o 