# generated using pymatgen
data_CaTb(Al5Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72050328
_cell_length_b   6.72050277
_cell_length_c   8.89479090
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.34138717
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTb(Al5Fe)4
_chemical_formula_sum   'Ca1 Tb1 Al20 Fe4'
_cell_volume   398.44140192
_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  0.87669099  0.12330901  0.75000000  1.0
  Tb  Tb1  1  0.12365440  0.87634560  0.25000000  1.0
  Al  Al2  1  0.41116009  0.13212411  0.75000000  1.0
  Al  Al3  1  0.13059142  0.41273870  0.25000000  1.0
  Al  Al4  1  0.58726130  0.86940858  0.25000000  1.0
  Al  Al5  1  0.86787589  0.58883991  0.75000000  1.0
  Al  Al6  1  0.52336401  0.78104943  0.75000000  1.0
  Al  Al7  1  0.77993731  0.52198100  0.25000000  1.0
  Al  Al8  1  0.47801900  0.22006269  0.25000000  1.0
  Al  Al9  1  0.21895057  0.47663599  0.75000000  1.0
  Al  Al10  1  0.84223108  0.15776892  0.40366850  1.0
  Al  Al11  1  0.16147462  0.83852538  0.59671200  1.0
  Al  Al12  1  0.84223108  0.15776892  0.09633150  1.0
  Al  Al13  1  0.16147462  0.83852538  0.90328800  1.0
  Al  Al14  1  0.62495189  0.37504811  0.95586548  1.0
  Al  Al15  1  0.37511361  0.62488639  0.05287991  1.0
  Al  Al16  1  0.62495189  0.37504811  0.54413452  1.0
  Al  Al17  1  0.37511361  0.62488639  0.44712009  1.0
  Al  Al18  1  0.77184319  0.77256886  0.00044948  1.0
  Al  Al19  1  0.77184319  0.77256886  0.49955052  1.0
  Al  Al20  1  0.22743014  0.22815681  0.00044948  1.0
  Al  Al21  1  0.22743014  0.22815681  0.49955052  1.0
  Fe  Fe22  1  0.49868284  0.00048037  0.00039790  1.0
  Fe  Fe23  1  0.99951963  0.50131716  0.00039790  1.0
  Fe  Fe24  1  0.49868284  0.00048037  0.49960210  1.0
  Fe  Fe25  1  0.99951963  0.50131716  0.49960210  1.0