data_KTc2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48
_cell_length_b   10.48
_cell_length_c   10.48
_cell_angle_alpha   15.68
_cell_angle_beta   15.68
_cell_angle_gamma   15.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTc2Mo
_chemical_formula_sum   'K1 Tc2 Mo1'
_cell_volume   73.39
_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  0.75  1.0
  Tc  Tc3  1  0.0  0.0  0.31  1.0
  Mo  Mo1  1  0.0  0.0  0.53  1.0

data_KTc2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.86
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   99.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTc2Mo
_chemical_formula_sum   'K2 Tc4 Mo2'
_cell_volume   146.79
_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  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.25  1.0
  Tc  Tc2  2  0.0  0.0  0.69  1.0
  Mo  Mo3  2  -0.0  0.0  0.47  1.0

K Tc Tc Mo