# generated using pymatgen
data_Ca3(SiPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71457358
_cell_length_b   8.00159105
_cell_length_c   13.15551432
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(SiPt)2
_chemical_formula_sum   'Ca12 Si8 Pt8'
_cell_volume   601.54484866
_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  0.12923514  0.61617929  0.10542573  1.0
  Ca  Ca1  1  0.12923514  0.88382071  0.89457427  1.0
  Ca  Ca2  1  0.87076486  0.11617929  0.39457427  1.0
  Ca  Ca3  1  0.87076486  0.38382071  0.60542573  1.0
  Ca  Ca4  1  0.87076486  0.38382071  0.89457427  1.0
  Ca  Ca5  1  0.87076486  0.11617929  0.10542573  1.0
  Ca  Ca6  1  0.12923514  0.88382071  0.60542573  1.0
  Ca  Ca7  1  0.12923514  0.61617929  0.39457427  1.0
  Ca  Ca8  1  0.35968129  0.26058536  0.25000000  1.0
  Ca  Ca9  1  0.35968129  0.23941464  0.75000000  1.0
  Ca  Ca10  1  0.64031871  0.76058536  0.25000000  1.0
  Ca  Ca11  1  0.64031871  0.73941464  0.75000000  1.0
  Si  Si12  1  0.40823292  0.25000000  0.00000000  1.0
  Si  Si13  1  0.59176708  0.75000000  0.50000000  1.0
  Si  Si14  1  0.59176708  0.75000000  0.00000000  1.0
  Si  Si15  1  0.40823292  0.25000000  0.50000000  1.0
  Si  Si16  1  0.83553354  0.41030531  0.25000000  1.0
  Si  Si17  1  0.83553354  0.08969469  0.75000000  1.0
  Si  Si18  1  0.16446646  0.91030531  0.25000000  1.0
  Si  Si19  1  0.16446646  0.58969469  0.75000000  1.0
  Pt  Pt20  1  0.63181550  0.47638401  0.08883136  1.0
  Pt  Pt21  1  0.63181550  0.02361599  0.91116864  1.0
  Pt  Pt22  1  0.36818450  0.97638401  0.41116864  1.0
  Pt  Pt23  1  0.36818450  0.52361599  0.58883136  1.0
  Pt  Pt24  1  0.36818450  0.52361599  0.91116864  1.0
  Pt  Pt25  1  0.36818450  0.97638401  0.08883136  1.0
  Pt  Pt26  1  0.63181550  0.02361599  0.58883136  1.0
  Pt  Pt27  1  0.63181550  0.47638401  0.41116864  1.0