data_KMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.97
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2Os
_chemical_formula_sum   'K1 Mo2 Os1'
_cell_volume   70.35
_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
  Mo  Mo1  1  0.0  0.48  0.6  1.0
  Mo  Mo2  1  0.36  0.48  0.0  1.0
  Os  Os3  1  0.36  0.0  0.6  1.0

data_KMo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.97
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2Os
_chemical_formula_sum   'K1 Mo2 Os1'
_cell_volume   70.35
_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
  Mo  Mo1  1  0.0  0.48  0.6  1.0
  Mo  Mo2  1  0.36  0.48  -0.0  1.0
  Os  Os3  1  0.36  0.0  0.6  1.0

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