data_KBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   5.3
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   91.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiOs2
_chemical_formula_sum   'K1 Bi1 Os2'
_cell_volume   89.82
_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  K1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.33  0.0  0.96  1.0
  Os  Os2  1  0.21  0.65  0.77  1.0
  Os  Os3  1  0.45  0.65  0.16  1.0

data_KBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.3
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   91.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiOs2
_chemical_formula_sum   'K1 Bi1 Os2'
_cell_volume   89.82
_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
  Bi  Bi1  1  0.33  0.0  0.96  1.0
  Os  Os2  1  0.21  0.65  0.77  1.0
  Os  Os3  1  0.45  0.65  0.16  1.0

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