# generated using pymatgen
data_Ca2AlPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70929831
_cell_length_b   5.70929831
_cell_length_c   7.70981649
_cell_angle_alpha   79.88271640
_cell_angle_beta   79.88271640
_cell_angle_gamma   60.37587835
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlPt2
_chemical_formula_sum   'Ca4 Al2 Pt4'
_cell_volume   213.90154775
_cell_formula_units_Z   2
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  0.78213723  0.51730613  0.85150309  1.0
  Ca  Ca1  1  0.48269387  0.21786277  0.64849691  1.0
  Ca  Ca2  1  0.21786277  0.48269387  0.14849691  1.0
  Ca  Ca3  1  0.51730613  0.78213723  0.35150309  1.0
  Al  Al4  1  0.10978244  0.89021756  0.75000000  1.0
  Al  Al5  1  0.89021756  0.10978244  0.25000000  1.0
  Pt  Pt6  1  0.00446650  0.73661281  0.50366427  1.0
  Pt  Pt7  1  0.26338719  0.99553350  0.99633573  1.0
  Pt  Pt8  1  0.99553350  0.26338719  0.49633573  1.0
  Pt  Pt9  1  0.73661281  0.00446650  0.00366427  1.0