data_CrFeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeOs2
_chemical_formula_sum   'Cr1 Fe1 Os2'
_cell_volume   51.27
_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
  Fe  Fe1  1  0.66  0.0  0.0  1.0
  Os  Os2  1  0.33  0.19  0.33  1.0
  Os  Os3  1  0.33  0.81  0.33  1.0

data_CrFeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   107.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeOs2
_chemical_formula_sum   'Cr1 Fe1 Os2'
_cell_volume   51.27
_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
  Fe  Fe1  1  0.0  0.66  0.0  1.0
  Os  Os2  1  0.33  0.33  0.81  1.0
  Os  Os3  1  0.33  0.33  0.19  1.0

Cr Fe Os Os
Cr Fe Os Os 0 1 - o o 0 2 o o o 1 3 o - o 2 3 o - o 