data_K2SrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.99
_cell_length_b   12.99
_cell_length_c   12.99
_cell_angle_alpha   16.73
_cell_angle_beta   16.73
_cell_angle_gamma   16.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SrOs
_chemical_formula_sum   'K2 Sr1 Os1'
_cell_volume   158.25
_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  0.35  1.0
  K  K1  1  0.0  0.0  0.75  1.0
  Sr  Sr3  1  0.0  0.0  0.57  1.0
  Os  Os2  1  0.0  0.0  0.36  1.0

data_K2SrOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.54
_cell_length_b   3.78
_cell_length_c   12.99
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2SrOs
_chemical_formula_sum   'K4 Sr2 Os2'
_cell_volume   316.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.25  1.0
  K  K1  2  0.0  0.0  0.65  1.0
  Sr  Sr2  2  0.0  0.0  0.43  1.0
  Os  Os3  2  0.0  0.0  0.64  1.0

K K Sr Os
K K Sr Os 0 3 o o o 1 2 o o o 