data_KMnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   121.16
_cell_angle_beta   121.16
_cell_angle_gamma   88.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnFe2
_chemical_formula_sum   'K1 Mn1 Fe2'
_cell_volume   70.38
_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  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.29  0.0  0.68  1.0
  Fe  Fe0  1  0.0  0.0  0.35  1.0
  Fe  Fe1  1  0.0  0.29  0.68  1.0

data_KMnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.66
_cell_angle_alpha   119.42
_cell_angle_beta   119.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnFe2
_chemical_formula_sum   'K1 Mn1 Fe2'
_cell_volume   70.38
_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
  Mn  Mn1  1  0.32  0.0  0.61  1.0
  Fe  Fe2  1  0.61  0.29  0.61  1.0
  Fe  Fe3  1  0.65  0.0  0.65  1.0

K Mn Fe Fe