data_KRe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.9
_cell_angle_alpha   96.82
_cell_angle_beta   96.82
_cell_angle_gamma   33.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2Os
_chemical_formula_sum   'K1 Re2 Os1'
_cell_volume   89.34
_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  0.22  0.0  0.37  1.0
  Re  Re2  1  0.02  0.0  0.02  1.0
  Re  Re3  1  0.89  0.0  0.89  1.0
  Os  Os1  1  0.59  0.0  0.99  1.0

data_KRe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.87
_cell_length_c   6.9
_cell_angle_alpha   96.82
_cell_angle_beta   90.0
_cell_angle_gamma   106.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2Os
_chemical_formula_sum   'K1 Re2 Os1'
_cell_volume   89.34
_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  0.78  0.63  1.0
  Re  Re1  1  0.0  0.11  0.11  1.0
  Re  Re2  1  0.0  0.98  0.98  1.0
  Os  Os3  1  0.0  0.41  0.01  1.0

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