[CIF]
data_CaFeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46934264
_cell_length_b   4.46934264
_cell_length_c   4.46934264
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeCu2
_chemical_formula_sum   'Ca1 Fe1 Cu2'
_cell_volume   63.12711700
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu1  1  1.58015125  1.58015125  1.58015125  1
  Cu  Cu2  1  4.74045374  4.74045374  4.74045374  1
  Fe  Fe3  1  3.16030249  3.16030249  3.16030249  1
[/CIF]
