[CIF]
data_CrFe4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71207160
_cell_length_b   4.71207160
_cell_length_c   4.71207160
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe4As
_chemical_formula_sum   'Cr1 Fe4 As1'
_cell_volume   73.98107613
_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
  As  As0  1  4.99790667  4.99790667  4.99790667  1
  Cr  Cr1  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe2  1  4.16959625  4.16959625  2.49427931  1
  Fe  Fe3  1  4.16959625  2.49427931  4.16959625  1
  Fe  Fe4  1  2.49427931  4.16959625  4.16959625  1
  Fe  Fe5  1  2.49427931  2.49427931  2.49427931  1
[/CIF]
