# generated using pymatgen
data_Ca12Ir3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48238253
_cell_length_b   7.81004527
_cell_length_c   9.34244121
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.65541753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca12Ir3Pd
_chemical_formula_sum   'Ca12 Ir3 Pd1'
_cell_volume   472.97776672
_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  0.33832879  0.66502607  0.07137677  1.0
  Ca  Ca1  1  0.15984867  0.16790194  0.43105692  1.0
  Ca  Ca2  1  0.65885345  0.32647970  0.56188314  1.0
  Ca  Ca3  1  0.84899477  0.84015096  0.93726963  1.0
  Ca  Ca4  1  0.65885345  0.32647970  0.93811686  1.0
  Ca  Ca5  1  0.84899477  0.84015096  0.56273037  1.0
  Ca  Ca6  1  0.33832879  0.66502607  0.42862323  1.0
  Ca  Ca7  1  0.15984867  0.16790194  0.06894308  1.0
  Ca  Ca8  1  0.85691882  0.54622835  0.25000000  1.0
  Ca  Ca9  1  0.63883565  0.04114235  0.25000000  1.0
  Ca  Ca10  1  0.13162504  0.45218588  0.75000000  1.0
  Ca  Ca11  1  0.35740004  0.96306243  0.75000000  1.0
  Ir  Ir12  1  0.04331948  0.87404577  0.25000000  1.0
  Ir  Ir13  1  0.46152869  0.37318595  0.25000000  1.0
  Ir  Ir14  1  0.95249424  0.12677263  0.75000000  1.0
  Pd  Pd15  1  0.54582767  0.62425930  0.75000000  1.0