[CIF]
data_CaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20537731
_cell_length_b   8.20537731
_cell_length_c   8.20537731
_cell_angle_alpha   26.48592880
_cell_angle_beta   26.48592880
_cell_angle_gamma   26.48592880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe
_chemical_formula_sum   'Ca2 Fe2'
_cell_volume   96.85281011
_cell_formula_units_Z   2
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
  Ca  Ca0  1  -0.00000000  0.00000000  14.00752112  1
  Ca  Ca1  1  0.00000000  -0.00000000  9.73179050  1
  Fe  Fe2  1  0.00000000  0.00000000  3.96847318  1
  Fe  Fe3  1  0.00000000  0.00000000  19.77083843  1
[/CIF]
