# generated using pymatgen
data_CaPPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36969545
_cell_length_b   6.53143321
_cell_length_c   8.32204141
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPPt
_chemical_formula_sum   'Ca4 P4 Pt4'
_cell_volume   237.51417412
_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  -0.00000000  0.86618347  0.12741771  1.0
  Ca  Ca1  1  0.00000000  0.92936558  0.58792351  1.0
  Ca  Ca2  1  0.00000000  0.42936558  0.41207649  1.0
  Ca  Ca3  1  0.00000000  0.36618347  0.87258229  1.0
  P  P4  1  0.50000000  0.17038297  0.07155571  1.0
  P  P5  1  0.50000000  0.74707701  0.38396717  1.0
  P  P6  1  0.50000000  0.67038297  0.92844429  1.0
  P  P7  1  0.50000000  0.24707701  0.61603283  1.0
  Pt  Pt8  1  0.50000000  0.11548603  0.34219299  1.0
  Pt  Pt9  1  0.50000000  0.49730494  0.16803486  1.0
  Pt  Pt10  1  0.50000000  0.99730494  0.83196514  1.0
  Pt  Pt11  1  0.50000000  0.61548603  0.65780701  1.0