data_KLaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaTc2
_chemical_formula_sum   'K1 La1 Tc2'
_cell_volume   114.95
_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  0.19  1.0
  La  La1  1  0.73  0.73  0.05  1.0
  Tc  Tc2  1  0.0  0.0  0.79  1.0
  Tc  Tc3  1  0.73  0.73  0.3  1.0

data_KLaTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KLaTc2
_chemical_formula_sum   'K2 La2 Tc4'
_cell_volume   229.9
_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  0.19  1.0
  La  La1  2  0.23  0.5  0.05  1.0
  Tc  Tc2  2  0.0  0.0  0.79  1.0
  Tc  Tc3  2  0.23  0.5  0.3  1.0

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