# generated using pymatgen
data_CaAlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19057287
_cell_length_b   4.19057243
_cell_length_c   21.94612224
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAlSi
_chemical_formula_sum   'Ca5 Al5 Si5'
_cell_volume   333.76072320
_cell_formula_units_Z   5
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  0.00000000  -0.00000000  0.99936721  1.0
  Ca  Ca1  1  0.00000000  -0.00000000  0.60150503  1.0
  Ca  Ca2  1  0.00000000  -0.00000000  0.39948826  1.0
  Ca  Ca3  1  0.00000000  -0.00000000  0.20141549  1.0
  Ca  Ca4  1  0.00000000  -0.00000000  0.80042021  1.0
  Al  Al5  1  0.33333300  0.66666700  0.89003369  1.0
  Al  Al6  1  0.33333300  0.66666700  0.71063582  1.0
  Al  Al7  1  0.66666700  0.33333300  0.49406417  1.0
  Al  Al8  1  0.66666700  0.33333300  0.29990584  1.0
  Al  Al9  1  0.66666700  0.33333300  0.10728501  1.0
  Si  Si10  1  0.66666700  0.33333300  0.69488403  1.0
  Si  Si11  1  0.33333300  0.66666700  0.50625027  1.0
  Si  Si12  1  0.33333300  0.66666700  0.09432349  1.0
  Si  Si13  1  0.66666700  0.33333300  0.90583401  1.0
  Si  Si14  1  0.33333300  0.66666700  0.30095146  1.0