# generated using pymatgen
data_Ca2Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54000125
_cell_length_b   5.54000187
_cell_length_c   5.54000171
_cell_angle_alpha   131.62072526
_cell_angle_beta   121.93260163
_cell_angle_gamma   78.86520128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Pt3
_chemical_formula_sum   'Ca2 Pt3'
_cell_volume   104.46614828
_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  0.69678102  0.19678102  0.50000000  1.0
  Ca  Ca1  1  0.30321898  0.80321898  0.50000000  1.0
  Pt  Pt2  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt3  1  0.74300820  0.50000000  0.24300820  1.0
  Pt  Pt4  1  0.25699180  0.50000000  0.75699180  1.0