# generated using pymatgen
data_CaPa(TiPd6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66398686
_cell_length_b   5.66398741
_cell_length_c   9.20258306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa(TiPd6)2
_chemical_formula_sum   'Ca1 Pa1 Ti2 Pd12'
_cell_volume   255.67303868
_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  0.33333300  0.66666700  0.25000000  1.0
  Pa  Pa1  1  0.66666700  0.33333300  0.75000000  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.48773098  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.01226902  1.0
  Pd  Pd4  1  0.50190329  0.49809671  0.50294917  1.0
  Pd  Pd5  1  0.50190329  0.00380657  0.50294917  1.0
  Pd  Pd6  1  0.99619343  0.49809671  0.50294917  1.0
  Pd  Pd7  1  0.50190329  0.49809671  0.99705083  1.0
  Pd  Pd8  1  0.50190329  0.00380657  0.99705083  1.0
  Pd  Pd9  1  0.99619343  0.49809671  0.99705083  1.0
  Pd  Pd10  1  0.83269545  0.66539190  0.25000000  1.0
  Pd  Pd11  1  0.33460810  0.16730455  0.25000000  1.0
  Pd  Pd12  1  0.83269545  0.16730455  0.25000000  1.0
  Pd  Pd13  1  0.16618746  0.33237491  0.75000000  1.0
  Pd  Pd14  1  0.66762509  0.83381254  0.75000000  1.0
  Pd  Pd15  1  0.16618746  0.83381254  0.75000000  1.0