data_KFe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.72
_cell_angle_alpha   96.49
_cell_angle_beta   96.49
_cell_angle_gamma   35.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Tc
_chemical_formula_sum   'K1 Fe2 Tc1'
_cell_volume   76.93
_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  K2  1  0.93  0.0  0.42  1.0
  Fe  Fe0  1  0.45  0.0  0.04  1.0
  Fe  Fe1  1  0.78  0.0  0.72  1.0
  Tc  Tc3  1  0.03  0.0  0.81  1.0

data_KFe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.48
_cell_length_c   6.72
_cell_angle_alpha   96.49
_cell_angle_beta   90.0
_cell_angle_gamma   107.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Tc
_chemical_formula_sum   'K1 Fe2 Tc1'
_cell_volume   76.93
_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  0.07  0.58  1.0
  Fe  Fe1  1  0.0  0.22  0.28  1.0
  Fe  Fe2  1  0.0  0.55  0.96  1.0
  Tc  Tc3  1  0.0  0.97  0.19  1.0

K Fe Fe Tc