data_KTaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89
_cell_length_b   10.89
_cell_length_c   10.89
_cell_angle_alpha   14.96
_cell_angle_beta   14.96
_cell_angle_gamma   14.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaOs2
_chemical_formula_sum   'K1 Ta1 Os2'
_cell_volume   74.88
_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  0.24  1.0
  Ta  Ta3  1  0.0  0.0  0.67  1.0
  Os  Os1  1  0.0  0.0  0.46  1.0
  Os  Os2  1  0.0  0.0  0.06  1.0

data_KTaOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   2.83
_cell_length_c   10.89
_cell_angle_alpha   90.0
_cell_angle_beta   98.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTaOs2
_chemical_formula_sum   'K2 Ta2 Os4'
_cell_volume   149.75
_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  2  -0.0  0.0  0.76  1.0
  Ta  Ta1  2  -0.0  0.0  0.33  1.0
  Os  Os2  2  -0.0  0.0  0.54  1.0
  Os  Os3  2  -0.0  0.0  0.94  1.0

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