# generated using pymatgen
data_CaSm(Al5Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73042006
_cell_length_b   6.73041896
_cell_length_c   8.91600781
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.39127064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm(Al5Fe)4
_chemical_formula_sum   'Ca1 Sm1 Al20 Fe4'
_cell_volume   400.52624825
_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  0.87659163  0.12340837  0.75000000  1.0
  Sm  Sm1  1  0.12264309  0.87735691  0.25000000  1.0
  Al  Al2  1  0.62488685  0.37511315  0.54474475  1.0
  Al  Al3  1  0.37533721  0.62466279  0.44867446  1.0
  Al  Al4  1  0.37533721  0.62466279  0.05132554  1.0
  Al  Al5  1  0.62488685  0.37511315  0.95525525  1.0
  Al  Al6  1  0.22761142  0.22864350  0.50044582  1.0
  Al  Al7  1  0.77135650  0.77238858  0.50044582  1.0
  Al  Al8  1  0.77135650  0.77238858  0.99955418  1.0
  Al  Al9  1  0.22761142  0.22864350  0.99955418  1.0
  Al  Al10  1  0.84112442  0.15887558  0.09624820  1.0
  Al  Al11  1  0.16160811  0.83839189  0.90228376  1.0
  Al  Al12  1  0.16160811  0.83839189  0.59771624  1.0
  Al  Al13  1  0.84112442  0.15887558  0.40375180  1.0
  Al  Al14  1  0.86807609  0.58840371  0.75000000  1.0
  Al  Al15  1  0.13092502  0.41155404  0.25000000  1.0
  Al  Al16  1  0.41159629  0.13192391  0.75000000  1.0
  Al  Al17  1  0.58844596  0.86907498  0.25000000  1.0
  Al  Al18  1  0.21878303  0.47660897  0.75000000  1.0
  Al  Al19  1  0.77958500  0.52105106  0.25000000  1.0
  Al  Al20  1  0.52339103  0.78121697  0.75000000  1.0
  Al  Al21  1  0.47894894  0.22041500  0.25000000  1.0
  Fe  Fe22  1  0.99952573  0.50094228  0.50020543  1.0
  Fe  Fe23  1  0.99952573  0.50094228  0.99979457  1.0
  Fe  Fe24  1  0.49905772  0.00047427  0.99979457  1.0
  Fe  Fe25  1  0.49905772  0.00047427  0.50020543  1.0