# generated using pymatgen
data_CaSm2(Al3Ni2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07180713
_cell_length_b   9.07180690
_cell_length_c   4.03455051
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm2(Al3Ni2)3
_chemical_formula_sum   'Ca1 Sm2 Al9 Ni6'
_cell_volume   287.55001229
_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  0.00000000  0.00000000  0.00000000  1.0
  Sm  Sm1  1  0.33333300  0.66666700  0.50000000  1.0
  Sm  Sm2  1  0.66666700  0.33333300  0.50000000  1.0
  Al  Al3  1  0.50000000  0.00000000  0.00000000  1.0
  Al  Al4  1  0.00000000  0.50000000  0.00000000  1.0
  Al  Al5  1  0.50000000  0.50000000  0.00000000  1.0
  Al  Al6  1  0.29781106  0.00000000  0.50000000  1.0
  Al  Al7  1  0.70218894  0.00000000  0.50000000  1.0
  Al  Al8  1  0.00000000  0.29781106  0.50000000  1.0
  Al  Al9  1  1.00000000  0.70218894  0.50000000  1.0
  Al  Al10  1  0.70218894  0.70218894  0.50000000  1.0
  Al  Al11  1  0.29781106  0.29781106  0.50000000  1.0
  Ni  Ni12  1  0.18041593  0.36083187  0.00000000  1.0
  Ni  Ni13  1  0.81958407  0.63916813  0.00000000  1.0
  Ni  Ni14  1  0.63916813  0.81958407  0.00000000  1.0
  Ni  Ni15  1  0.36083187  0.18041593  0.00000000  1.0
  Ni  Ni16  1  0.18041593  0.81958407  0.00000000  1.0
  Ni  Ni17  1  0.81958407  0.18041593  0.00000000  1.0