# generated using pymatgen
data_Ca5Sm3(Si3Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22530826
_cell_length_b   8.22298038
_cell_length_c   8.37274525
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00936904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Sm3(Si3Pd)4
_chemical_formula_sum   'Ca5 Sm3 Si12 Pd4'
_cell_volume   490.38698708
_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  0.49968431  0.50028389  0.75000000  1.0
  Ca  Ca1  1  0.50036533  0.49975770  0.25000000  1.0
  Ca  Ca2  1  0.00059958  0.50028389  0.75000000  1.0
  Ca  Ca3  1  0.99939237  0.49975770  0.25000000  1.0
  Ca  Ca4  1  0.49968896  0.99937791  0.75000000  1.0
  Sm  Sm5  1  0.50023505  0.00047111  0.25000000  1.0
  Sm  Sm6  1  0.00001348  0.00002496  0.75000000  1.0
  Sm  Sm7  1  0.99999449  0.99998898  0.25000000  1.0
  Si  Si8  1  0.83539422  0.16517184  0.00158359  1.0
  Si  Si9  1  0.16458098  0.83481750  0.00180690  1.0
  Si  Si10  1  0.32977763  0.16517184  0.00158359  1.0
  Si  Si11  1  0.16458098  0.83481750  0.49819310  1.0
  Si  Si12  1  0.67023653  0.83481750  0.00180690  1.0
  Si  Si13  1  0.83539422  0.16517184  0.49841641  1.0
  Si  Si14  1  0.83453410  0.66907020  0.00035361  1.0
  Si  Si15  1  0.67023653  0.83481750  0.49819310  1.0
  Si  Si16  1  0.16546665  0.33093430  0.00074809  1.0
  Si  Si17  1  0.32977763  0.16517184  0.49841641  1.0
  Si  Si18  1  0.16546665  0.33093430  0.49925191  1.0
  Si  Si19  1  0.83453410  0.66907020  0.49964639  1.0
  Pd  Pd20  1  0.66605778  0.33211556  0.99990170  1.0
  Pd  Pd21  1  0.33396284  0.66792667  0.00123211  1.0
  Pd  Pd22  1  0.33396284  0.66792667  0.49876789  1.0
  Pd  Pd23  1  0.66605778  0.33211556  0.50009830  1.0