data_KTc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   7.35
_cell_angle_alpha   95.0
_cell_angle_beta   95.0
_cell_angle_gamma   40.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTc2W
_chemical_formula_sum   'K1 Tc2 W1'
_cell_volume   89.61
_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  0.38  0.0  0.78  1.0
  Tc  Tc2  1  0.05  0.0  0.54  1.0
  W  W3  1  0.72  0.0  0.66  1.0

data_KTc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.33
_cell_length_c   7.35
_cell_angle_alpha   95.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTc2W
_chemical_formula_sum   'K1 Tc2 W1'
_cell_volume   89.61
_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  0.0  0.62  0.22  1.0
  Tc  Tc2  1  0.0  0.95  0.46  1.0
  W  W3  1  0.0  0.28  0.34  1.0

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