data_K2ZrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrOs
_chemical_formula_sum   'K2 Zr1 Os1'
_cell_volume   97.46
_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  0.54  0.0  0.58  1.0
  K  K1  1  0.54  0.0  0.17  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.38  1.0

data_K2ZrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrOs
_chemical_formula_sum   'K2 Zr1 Os1'
_cell_volume   97.46
_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  0.54  0.0  0.17  1.0
  K  K1  1  0.54  0.0  0.58  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.38  1.0

K K Zr Os
K K Zr Os 0 0 + + o 0 0 o + o 0 0 + o o 0 3 o o o 0 3 + o o 1 1 + + o 1 1 o + o 1 1 + o o 1 2 o o o 1 2 + o o 1 3 o o o 1 3 + o o 2 2 + + o 2 2 o + o 2 2 + o o 3 3 + + o 3 3 o + o 3 3 + o o 