data_KTc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   132.18
_cell_angle_beta   132.18
_cell_angle_gamma   69.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTc2Os
_chemical_formula_sum   'K1 Tc2 Os1'
_cell_volume   82.96
_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
  Tc  Tc2  1  0.0  0.0  0.39  1.0
  Tc  Tc3  1  0.0  0.17  0.2  1.0
  Os  Os1  1  0.17  0.0  0.2  1.0

data_KTc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.36
_cell_angle_alpha   113.91
_cell_angle_beta   113.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTc2Os
_chemical_formula_sum   'K1 Tc2 Os1'
_cell_volume   82.96
_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
  Tc  Tc1  1  0.61  0.0  0.61  1.0
  Tc  Tc2  1  0.98  0.17  0.98  1.0
  Os  Os3  1  0.8  0.0  0.98  1.0

K Tc Tc Os