data_KZrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   144.89
_cell_angle_beta   130.95
_cell_angle_gamma   61.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrTc2
_chemical_formula_sum   'K1 Zr1 Tc2'
_cell_volume   88.44
_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  0.6  1.0
  Zr  Zr3  1  0.78  0.0  0.06  1.0
  Tc  Tc1  1  0.78  0.0  0.01  1.0
  Tc  Tc2  1  0.0  0.0  0.53  1.0

data_KZrTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.9
_cell_length_c   5.9
_cell_angle_alpha   114.52
_cell_angle_beta   107.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrTc2
_chemical_formula_sum   'K1 Zr1 Tc2'
_cell_volume   88.44
_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  0.4  0.4  0.4  1.0
  Zr  Zr1  1  0.72  0.94  0.72  1.0
  Tc  Tc2  1  0.47  0.47  0.47  1.0
  Tc  Tc3  1  0.77  0.99  0.77  1.0

K Zr Tc Tc