data_KTaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   155.49
_cell_angle_beta   147.84
_cell_angle_gamma   40.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaMn
_chemical_formula_sum   'K1 Ta1 Mn1'
_cell_volume   75.24
_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  0.08  1.0
  Ta  Ta2  1  0.0  0.0  0.4  1.0
  Mn  Mn1  1  0.0  0.0  0.72  1.0

data_KTaMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.87
_cell_length_c   6.99
_cell_angle_alpha   106.08
_cell_angle_beta   102.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaMn
_chemical_formula_sum   'K1 Ta1 Mn1'
_cell_volume   75.24
_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  0.92  0.92  0.92  1.0
  Ta  Ta1  1  0.6  0.6  0.6  1.0
  Mn  Mn2  1  0.28  0.28  0.28  1.0

K Ta Mn