data_CrFeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.61
_cell_angle_alpha   99.84
_cell_angle_beta   99.84
_cell_angle_gamma   34.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeOs2
_chemical_formula_sum   'Cr1 Fe1 Os2'
_cell_volume   51.7
_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  0.87  0.0  0.27  1.0
  Os  Os2  1  0.22  0.0  0.15  1.0
  Os  Os3  1  0.52  0.0  0.38  1.0

data_CrFeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.49
_cell_length_c   4.61
_cell_angle_alpha   99.84
_cell_angle_beta   90.0
_cell_angle_gamma   107.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeOs2
_chemical_formula_sum   'Cr1 Fe1 Os2'
_cell_volume   51.7
_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  0.13  0.73  1.0
  Os  Os2  1  0.0  0.48  0.62  1.0
  Os  Os3  1  0.0  0.78  0.85  1.0

Cr Fe Os Os