data_KMn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.37
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Tc
_chemical_formula_sum   'K1 Mn2 Tc1'
_cell_volume   77.72
_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  0.53  1.0
  Mn  Mn1  1  0.47  0.19  1.0  1.0
  Mn  Mn2  1  0.0  0.0  0.48  1.0
  Tc  Tc3  1  0.47  0.19  0.08  1.0

data_KMn2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.37
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Tc
_chemical_formula_sum   'K1 Mn2 Tc1'
_cell_volume   77.72
_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  0.53  1.0
  Mn  Mn1  1  0.0  0.0  0.48  1.0
  Mn  Mn2  1  0.47  0.19  1.0  1.0
  Tc  Tc3  1  0.47  0.19  0.08  1.0

K Mn Mn Tc
K Mn Mn Tc 0 2 o o o 1 3 o o + 