# generated using pymatgen
data_CaYPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.71912203
_cell_length_b   11.71912203
_cell_length_c   11.71912203
_cell_angle_alpha   126.64914077
_cell_angle_beta   117.89308194
_cell_angle_gamma   86.28828713
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYPt2
_chemical_formula_sum   'Ca1 Y1 Pt2'
_cell_volume   1087.79874365
_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  0.00000000  0.00000000  0.00000000  1.0
  Y  Y1  1  0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt2  1  0.00000000  0.26308300  0.26308300  1.0
  Pt  Pt3  1  0.00000000  0.73691700  0.73691700  1.0