# generated using pymatgen
data_Ca(Al10Cr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21432999
_cell_length_b   10.21432999
_cell_length_c   10.21432999
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Al10Cr)2
_chemical_formula_sum   'Ca2 Al40 Cr4'
_cell_volume   753.55447784
_cell_formula_units_Z   2
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  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.75000000  0.75000000  0.75000000  1.0
  Al  Al2  1  0.86252000  0.86252000  0.13748000  1.0
  Al  Al3  1  0.13748000  0.13748000  0.86252000  1.0
  Al  Al4  1  0.86252000  0.13748000  0.86252000  1.0
  Al  Al5  1  0.13748000  0.86252000  0.13748000  1.0
  Al  Al6  1  0.13748000  0.86252000  0.86252000  1.0
  Al  Al7  1  0.86252000  0.13748000  0.13748000  1.0
  Al  Al8  1  0.38748000  0.38748000  0.11252000  1.0
  Al  Al9  1  0.11252000  0.11252000  0.38748000  1.0
  Al  Al10  1  0.38748000  0.11252000  0.38748000  1.0
  Al  Al11  1  0.11252000  0.38748000  0.11252000  1.0
  Al  Al12  1  0.11252000  0.38748000  0.38748000  1.0
  Al  Al13  1  0.38748000  0.11252000  0.11252000  1.0
  Al  Al14  1  0.56853500  0.29906800  0.29906800  1.0
  Al  Al15  1  0.29906800  0.56853500  0.83333000  1.0
  Al  Al16  1  0.29906800  0.83333000  0.56853500  1.0
  Al  Al17  1  0.83333000  0.29906800  0.29906800  1.0
  Al  Al18  1  0.29906800  0.29906800  0.56853500  1.0
  Al  Al19  1  0.56853500  0.83333000  0.29906800  1.0
  Al  Al20  1  0.83333000  0.56853500  0.29906800  1.0
  Al  Al21  1  0.29906800  0.29906800  0.83333000  1.0
  Al  Al22  1  0.29906800  0.56853500  0.29906800  1.0
  Al  Al23  1  0.83333000  0.29906800  0.56853500  1.0
  Al  Al24  1  0.56853500  0.29906800  0.83333000  1.0
  Al  Al25  1  0.29906800  0.83333000  0.29906800  1.0
  Al  Al26  1  0.68146500  0.95093200  0.95093200  1.0
  Al  Al27  1  0.95093200  0.68146500  0.41667000  1.0
  Al  Al28  1  0.95093200  0.41667000  0.68146500  1.0
  Al  Al29  1  0.41667000  0.95093200  0.95093200  1.0
  Al  Al30  1  0.95093200  0.95093200  0.68146500  1.0
  Al  Al31  1  0.68146500  0.41667000  0.95093200  1.0
  Al  Al32  1  0.41667000  0.68146500  0.95093200  1.0
  Al  Al33  1  0.95093200  0.95093200  0.41667000  1.0
  Al  Al34  1  0.95093200  0.68146500  0.95093200  1.0
  Al  Al35  1  0.41667000  0.95093200  0.68146500  1.0
  Al  Al36  1  0.68146500  0.95093200  0.41667000  1.0
  Al  Al37  1  0.95093200  0.41667000  0.95093200  1.0
  Al  Al38  1  0.12500000  0.62500000  0.62500000  1.0
  Al  Al39  1  0.62500000  0.12500000  0.62500000  1.0
  Al  Al40  1  0.62500000  0.62500000  0.12500000  1.0
  Al  Al41  1  0.62500000  0.62500000  0.62500000  1.0
  Cr  Cr42  1  0.62500000  0.12500000  0.12500000  1.0
  Cr  Cr43  1  0.12500000  0.62500000  0.12500000  1.0
  Cr  Cr44  1  0.12500000  0.12500000  0.62500000  1.0
  Cr  Cr45  1  0.12500000  0.12500000  0.12500000  1.0