data_AlCrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   2.71
_cell_angle_alpha   102.98
_cell_angle_beta   102.98
_cell_angle_gamma   114.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrOs2
_chemical_formula_sum   'Al1 Cr1 Os2'
_cell_volume   55.0
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.69  0.0  0.0  1.0
  Os  Os2  1  0.78  0.93  0.24  1.0
  Os  Os3  1  0.78  0.07  0.24  1.0

data_AlCrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.92
_cell_length_c   4.94
_cell_angle_alpha   118.06
_cell_angle_beta   102.98
_cell_angle_gamma   95.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrOs2
_chemical_formula_sum   'Al1 Cr1 Os2'
_cell_volume   55.0
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  -0.0  0.0  0.69  1.0
  Os  Os2  1  0.16  0.93  0.71  1.0
  Os  Os3  1  0.31  0.07  0.85  1.0

Al Cr Os Os