data_K2TaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.66
_cell_length_b   10.66
_cell_length_c   3.86
_cell_angle_alpha   99.4
_cell_angle_beta   99.4
_cell_angle_gamma   16.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaMn
_chemical_formula_sum   'K2 Ta1 Mn1'
_cell_volume   123.45
_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  0.67  0.0  0.47  1.0
  K  K1  1  0.8  0.0  0.34  1.0
  Ta  Ta3  1  0.23  0.0  0.91  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0

data_K2TaMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.86
_cell_length_c   10.66
_cell_angle_alpha   99.4
_cell_angle_beta   98.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaMn
_chemical_formula_sum   'K2 Ta1 Mn1'
_cell_volume   123.45
_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  0.34  0.8  1.0
  K  K1  1  0.0  0.47  0.67  1.0
  Ta  Ta2  1  0.0  0.91  0.23  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

K K Ta Mn
K K Ta Mn 0 1 o o o 1 3 + o + 1 3 + o o 2 3 o o + 2 2 + - o 3 3 + - o 