data_KCoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   154.15
_cell_angle_beta   126.31
_cell_angle_gamma   60.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCoOs2
_chemical_formula_sum   'K1 Co1 Os2'
_cell_volume   71.24
_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  0.53  1.0
  Co  Co0  1  0.32  0.0  0.68  1.0
  Os  Os2  1  0.32  0.0  0.42  1.0
  Os  Os3  1  0.0  0.0  0.62  1.0

data_KCoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   5.32
_cell_length_c   5.89
_cell_angle_alpha   116.84
_cell_angle_beta   102.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCoOs2
_chemical_formula_sum   'K1 Co1 Os2'
_cell_volume   71.24
_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  0.47  0.47  0.47  1.0
  Co  Co1  1  0.63  0.32  0.63  1.0
  Os  Os2  1  0.38  0.38  0.38  1.0
  Os  Os3  1  0.89  0.58  0.89  1.0

K Co Os Os
K Co Os Os 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 