# generated using pymatgen
data_CaLu2(AlNi2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15571892
_cell_length_b   5.15571804
_cell_length_c   15.49911112
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLu2(AlNi2)3
_chemical_formula_sum   'Ca2 Lu4 Al6 Ni12'
_cell_volume   356.79262704
_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
  Lu  Lu2  1  0.33333300  0.66666700  0.54368890  1.0
  Lu  Lu3  1  0.66666700  0.33333300  0.45631110  1.0
  Lu  Lu4  1  0.66666700  0.33333300  0.04368890  1.0
  Lu  Lu5  1  0.33333300  0.66666700  0.95631110  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  0.16939441  0.33878782  0.12359589  1.0
  Ni  Ni13  1  0.83060559  0.66121218  0.87640411  1.0
  Ni  Ni14  1  0.66121218  0.83060559  0.12359589  1.0
  Ni  Ni15  1  0.83060559  0.66121218  0.62359589  1.0
  Ni  Ni16  1  0.33878782  0.16939441  0.87640411  1.0
  Ni  Ni17  1  0.16939441  0.33878782  0.37640411  1.0
  Ni  Ni18  1  0.16939441  0.83060559  0.12359589  1.0
  Ni  Ni19  1  0.33878782  0.16939441  0.62359589  1.0
  Ni  Ni20  1  0.83060559  0.16939441  0.87640411  1.0
  Ni  Ni21  1  0.66121218  0.83060559  0.37640411  1.0
  Ni  Ni22  1  0.83060559  0.16939441  0.62359589  1.0
  Ni  Ni23  1  0.16939441  0.83060559  0.37640411  1.0