# generated using pymatgen
data_CaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40650467
_cell_length_b   5.40650467
_cell_length_c   8.91414304
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99979404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPt2
_chemical_formula_sum   'Ca4 Pt8'
_cell_volume   225.65465473
_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  0.66667596  0.33332404  0.56504887  1.0
  Ca  Ca1  1  0.33332404  0.66667596  0.43495113  1.0
  Ca  Ca2  1  0.33332404  0.66667596  0.06504887  1.0
  Ca  Ca3  1  0.66667596  0.33332404  0.93495113  1.0
  Pt  Pt4  1  -0.00000000  -0.00000000  0.50000000  1.0
  Pt  Pt5  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Pt  Pt6  1  0.16889500  0.33775914  0.75000000  1.0
  Pt  Pt7  1  0.16889078  0.83110922  0.75000000  1.0
  Pt  Pt8  1  0.66224086  0.83110500  0.75000000  1.0
  Pt  Pt9  1  0.83110500  0.66224086  0.25000000  1.0
  Pt  Pt10  1  0.83110922  0.16889078  0.25000000  1.0
  Pt  Pt11  1  0.33775914  0.16889500  0.25000000  1.0