# generated using pymatgen
data_Ca2NdPd12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28430681
_cell_length_b   5.28430570
_cell_length_c   11.29157898
_cell_angle_alpha   94.63025439
_cell_angle_beta   94.63025559
_cell_angle_gamma   120.02150687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NdPd12
_chemical_formula_sum   'Ca2 Nd1 Pd12'
_cell_volume   269.41888197
_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  0.99823493  0.99823493  0.99449845  1.0
  Ca  Ca1  1  0.87106903  0.87106903  0.64757177  1.0
  Nd  Nd2  1  0.13070267  0.13070267  0.35839030  1.0
  Pd  Pd3  1  0.67048188  0.32986323  0.00017344  1.0
  Pd  Pd4  1  0.32986323  0.67048188  0.00017344  1.0
  Pd  Pd5  1  0.57106561  0.06983339  0.20233260  1.0
  Pd  Pd6  1  0.06983339  0.57106561  0.20233260  1.0
  Pd  Pd7  1  0.56868202  0.56868202  0.20066494  1.0
  Pd  Pd8  1  0.80919014  0.48013500  0.40946966  1.0
  Pd  Pd9  1  0.48013500  0.80919014  0.40946966  1.0
  Pd  Pd10  1  0.51965535  0.19021751  0.59085559  1.0
  Pd  Pd11  1  0.19021751  0.51965535  0.59085559  1.0
  Pd  Pd12  1  0.43180040  0.43180040  0.79862010  1.0
  Pd  Pd13  1  0.93020892  0.42885993  0.79729592  1.0
  Pd  Pd14  1  0.42885993  0.93020892  0.79729592  1.0