data_K2ReOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ReOs
_chemical_formula_sum   'K2 Re1 Os1'
_cell_volume   82.31
_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  0.88  0.91  1.0
  K  K1  1  0.88  0.0  0.91  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.88  0.88  0.0  1.0

data_K2ReOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2ReOs
_chemical_formula_sum   'K4 Re2 Os2'
_cell_volume   164.63
_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  4  0.44  0.44  0.91  1.0
  Re  Re1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.38  0.5  0.0  1.0

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