[CIF]
data_Ca4AlFe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04955672
_cell_length_b   7.04955672
_cell_length_c   7.04955672
_cell_angle_alpha   117.06092302
_cell_angle_beta   117.06092302
_cell_angle_gamma   95.17078026
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4AlFe8
_chemical_formula_sum   'Ca4 Al1 Fe8'
_cell_volume   257.59506939
_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
  Al  Al0  1  0.00000000  0.00000000  0.00000000  1
  Ca  Ca1  1  -1.84009356  1.84009356  2.37743010  1
  Ca  Ca2  1  1.84009356  -1.84009356  2.37743010  1
  Ca  Ca3  1  1.84009356  1.84009356  2.37743010  1
  Ca  Ca4  1  1.84009356  1.84009356  -2.37743010  1
  Fe  Fe5  1  2.51821809  0.00000000  -0.00000000  1
  Fe  Fe6  1  4.84215615  -0.00000000  0.00000000  1
  Fe  Fe7  1  -0.00000000  4.84215615  0.00000000  1
  Fe  Fe8  1  0.00000000  2.51821809  -0.00000000  1
  Fe  Fe9  1  2.05291267  3.68018712  -0.00000000  1
  Fe  Fe10  1  1.62727445  0.00000000  4.75486020  1
  Fe  Fe11  1  -0.00000000  1.62727445  4.75486020  1
  Fe  Fe12  1  3.68018712  2.05291267  -0.00000000  1
[/CIF]
