# generated using pymatgen
data_CaAl5Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09097350
_cell_length_b   7.38161583
_cell_length_c   20.47918737
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl5Pt3
_chemical_formula_sum   'Ca4 Al20 Pt12'
_cell_volume   618.43039168
_cell_formula_units_Z   4
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  0.25000000  0.11778844  0.63941933  1.0
  Ca  Ca1  1  0.75000000  0.88221156  0.36058067  1.0
  Ca  Ca2  1  0.25000000  0.38221156  0.13941933  1.0
  Ca  Ca3  1  0.75000000  0.61778844  0.86058067  1.0
  Al  Al4  1  0.75000000  0.35495057  0.38178080  1.0
  Al  Al5  1  0.75000000  0.88412410  0.98327356  1.0
  Al  Al6  1  0.75000000  0.68814384  0.20074535  1.0
  Al  Al7  1  0.25000000  0.87055182  0.49225798  1.0
  Al  Al8  1  0.25000000  0.62944818  0.99225798  1.0
  Al  Al9  1  0.25000000  0.31185616  0.79925465  1.0
  Al  Al10  1  0.75000000  0.07032773  0.20882517  1.0
  Al  Al11  1  0.25000000  0.64504943  0.61821920  1.0
  Al  Al12  1  0.25000000  0.57032773  0.29117483  1.0
  Al  Al13  1  0.25000000  0.18814384  0.29925465  1.0
  Al  Al14  1  0.75000000  0.14504943  0.88178080  1.0
  Al  Al15  1  0.25000000  0.92967227  0.79117483  1.0
  Al  Al16  1  0.75000000  0.37055182  0.00774202  1.0
  Al  Al17  1  0.75000000  0.61587590  0.48327356  1.0
  Al  Al18  1  0.75000000  0.12944818  0.50774202  1.0
  Al  Al19  1  0.25000000  0.11587590  0.01672644  1.0
  Al  Al20  1  0.25000000  0.85495057  0.11821920  1.0
  Al  Al21  1  0.25000000  0.38412410  0.51672644  1.0
  Al  Al22  1  0.75000000  0.42967227  0.70882517  1.0
  Al  Al23  1  0.75000000  0.81185616  0.70074535  1.0
  Pt  Pt24  1  0.75000000  0.38057145  0.25970550  1.0
  Pt  Pt25  1  0.25000000  0.88057145  0.24029450  1.0
  Pt  Pt26  1  0.25000000  0.61942855  0.74029450  1.0
  Pt  Pt27  1  0.75000000  0.11942855  0.75970550  1.0
  Pt  Pt28  1  0.25000000  0.16359266  0.42683311  1.0
  Pt  Pt29  1  0.75000000  0.41957749  0.58445753  1.0
  Pt  Pt30  1  0.75000000  0.08042251  0.08445753  1.0
  Pt  Pt31  1  0.25000000  0.91957749  0.91554247  1.0
  Pt  Pt32  1  0.75000000  0.83640734  0.57316689  1.0
  Pt  Pt33  1  0.25000000  0.33640734  0.92683311  1.0
  Pt  Pt34  1  0.75000000  0.66359266  0.07316689  1.0
  Pt  Pt35  1  0.25000000  0.58042251  0.41554247  1.0