data_KYOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYOs2
_chemical_formula_sum   'K1 Y1 Os2'
_cell_volume   79.83
_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  0.0  0.0  1.0
  Y  Y3  1  0.63  0.0  0.0  1.0
  Os  Os1  1  0.32  0.35  0.61  1.0
  Os  Os2  1  0.32  0.65  0.61  1.0

data_KYOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.27
_cell_length_c   5.38
_cell_angle_alpha   119.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYOs2
_chemical_formula_sum   'K1 Y1 Os2'
_cell_volume   79.83
_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  0.0  0.0  1.0
  Y  Y1  1  -0.0  0.0  0.63  1.0
  Os  Os2  1  0.61  0.35  0.66  1.0
  Os  Os3  1  0.61  0.65  0.97  1.0

K Y Os Os
K Y Os Os 0 1 - o o 0 2 o o - 1 3 o - - 2 3 o o o 