data_KGaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.11
_cell_length_b   10.11
_cell_length_c   10.11
_cell_angle_alpha   16.06
_cell_angle_beta   16.06
_cell_angle_gamma   16.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaFe2
_chemical_formula_sum   'K1 Ga1 Fe2'
_cell_volume   68.9
_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  K3  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.0  0.96  1.0
  Fe  Fe0  1  0.0  0.0  0.88  1.0
  Fe  Fe1  1  0.0  0.0  0.04  1.0

data_KGaFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   2.82
_cell_length_c   10.11
_cell_angle_alpha   90.0
_cell_angle_beta   99.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KGaFe2
_chemical_formula_sum   'K2 Ga2 Fe4'
_cell_volume   137.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  -0.0  0.0  0.04  1.0
  Fe  Fe2  2  -0.0  0.0  0.96  1.0
  Fe  Fe3  2  -0.0  0.0  0.12  1.0

K Ga Fe Fe
K Ga Fe Fe 0 1 o o - 0 3 o o o 1 2 o o o 