data_CrRe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.68
_cell_angle_alpha   99.91
_cell_angle_beta   99.91
_cell_angle_gamma   116.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Os
_chemical_formula_sum   'Cr1 Re2 Os1'
_cell_volume   57.27
_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
  Re  Re2  1  0.88  0.85  0.26  1.0
  Re  Re3  1  0.88  0.15  0.26  1.0
  Os  Os1  1  0.64  0.0  0.0  1.0

data_CrRe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   116.88
_cell_angle_beta   99.91
_cell_angle_gamma   99.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Os
_chemical_formula_sum   'Cr1 Re2 Os1'
_cell_volume   57.27
_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
  Re  Re1  1  0.26  0.88  0.15  1.0
  Re  Re2  1  0.26  0.88  0.85  1.0
  Os  Os3  1  0.0  0.64  0.0  1.0

Cr Re Re Os