data_KTaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.53
_cell_angle_alpha   99.4
_cell_angle_beta   99.4
_cell_angle_gamma   34.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaOs2
_chemical_formula_sum   'K1 Ta1 Os2'
_cell_volume   94.41
_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  0.92  0.0  0.52  1.0
  Ta  Ta3  1  0.55  0.0  0.97  1.0
  Os  Os1  1  0.35  0.0  0.66  1.0
  Os  Os2  1  0.56  0.0  0.94  1.0

data_KTaOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.07
_cell_length_c   6.53
_cell_angle_alpha   99.4
_cell_angle_beta   90.0
_cell_angle_gamma   107.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaOs2
_chemical_formula_sum   'K1 Ta1 Os2'
_cell_volume   94.41
_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  0.08  0.48  1.0
  Ta  Ta1  1  0.0  0.45  0.03  1.0
  Os  Os2  1  0.0  0.44  0.06  1.0
  Os  Os3  1  0.0  0.65  0.34  1.0

K Ta Os Os