# generated using pymatgen
data_CaSc2(AlNi2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10038214
_cell_length_b   5.10038204
_cell_length_c   15.33860176
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000068
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSc2(AlNi2)3
_chemical_formula_sum   'Ca2 Sc4 Al6 Ni12'
_cell_volume   345.55869500
_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  0.33333300  0.66666700  0.75000000  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.25000000  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.54083395  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.45916605  1.0
  Sc  Sc4  1  0.66666700  0.33333300  0.04083395  1.0
  Sc  Sc5  1  0.33333300  0.66666700  0.95916605  1.0
  Al  Al6  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al7  1  0.00000000  0.00000000  0.75000000  1.0
  Al  Al8  1  0.33333300  0.66666700  0.25000000  1.0
  Al  Al9  1  0.66666700  0.33333300  0.75000000  1.0
  Al  Al10  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al11  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni12  1  0.17009817  0.34019433  0.12240935  1.0
  Ni  Ni13  1  0.82990183  0.65980567  0.87759065  1.0
  Ni  Ni14  1  0.65980567  0.82990183  0.12240935  1.0
  Ni  Ni15  1  0.82990183  0.65980567  0.62240935  1.0
  Ni  Ni16  1  0.34019433  0.17009817  0.87759065  1.0
  Ni  Ni17  1  0.17009817  0.34019433  0.37759065  1.0
  Ni  Ni18  1  0.17009817  0.82990183  0.12240935  1.0
  Ni  Ni19  1  0.34019433  0.17009817  0.62240935  1.0
  Ni  Ni20  1  0.82990183  0.17009817  0.87759065  1.0
  Ni  Ni21  1  0.65980567  0.82990183  0.37759065  1.0
  Ni  Ni22  1  0.82990183  0.17009817  0.62240935  1.0
  Ni  Ni23  1  0.17009817  0.82990183  0.37759065  1.0