data_KAlOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   7.24
_cell_angle_alpha   94.48
_cell_angle_beta   94.48
_cell_angle_gamma   36.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlOs2
_chemical_formula_sum   'K1 Al1 Os2'
_cell_volume   86.58
_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
  K  K1  1  0.26  0.0  0.77  1.0
  Al  Al0  1  0.07  0.0  0.26  1.0
  Os  Os2  1  0.85  0.0  0.44  1.0
  Os  Os3  1  0.62  0.0  0.57  1.0

data_KAlOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.48
_cell_length_c   7.24
_cell_angle_alpha   94.48
_cell_angle_beta   90.0
_cell_angle_gamma   108.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlOs2
_chemical_formula_sum   'K1 Al1 Os2'
_cell_volume   86.58
_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
  K  K0  1  0.0  0.74  0.23  1.0
  Al  Al1  1  0.0  0.93  0.74  1.0
  Os  Os2  1  0.0  0.15  0.56  1.0
  Os  Os3  1  0.0  0.38  0.43  1.0

K Al Os Os
K Al Os Os 0 2 - o o 0 0 + - o 0 3 o o o 1 2 - o o 2 3 o o o 