data_K2TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   10.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TcOs
_chemical_formula_sum   'K2 Tc1 Os1'
_cell_volume   113.66
_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  0.62  0.62  0.91  1.0
  K  K1  1  0.0  0.0  0.58  1.0
  Tc  Tc3  1  0.0  0.0  0.24  1.0
  Os  Os2  1  0.62  0.62  0.18  1.0

data_K2TcOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   10.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2TcOs
_chemical_formula_sum   'K4 Tc2 Os2'
_cell_volume   227.32
_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  0.58  1.0
  K  K1  2  0.12  0.5  0.91  1.0
  Tc  Tc2  2  0.0  0.0  0.24  1.0
  Os  Os3  2  0.12  0.5  0.18  1.0

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