data_KMg2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   7.41
_cell_angle_alpha   95.2
_cell_angle_beta   95.2
_cell_angle_gamma   34.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2Fe
_chemical_formula_sum   'K1 Mg2 Fe1'
_cell_volume   110.17
_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  K1  1  0.26  0.0  0.96  1.0
  Mg  Mg2  1  0.06  0.0  0.73  1.0
  Mg  Mg3  1  0.88  0.0  0.24  1.0
  Fe  Fe0  1  0.57  0.0  0.52  1.0

data_KMg2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.14
_cell_length_c   7.41
_cell_angle_alpha   95.2
_cell_angle_beta   90.0
_cell_angle_gamma   107.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2Fe
_chemical_formula_sum   'K1 Mg2 Fe1'
_cell_volume   110.17
_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  0.74  0.04  1.0
  Mg  Mg1  1  0.0  0.12  0.76  1.0
  Mg  Mg2  1  0.0  0.94  0.27  1.0
  Fe  Fe3  1  0.0  0.43  0.48  1.0

K Mg Mg Fe