# generated using pymatgen
data_Ca2In5Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55307277
_cell_length_b   9.57888442
_cell_length_c   10.73814871
_cell_angle_alpha   77.66603481
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2In5Pd4
_chemical_formula_sum   'Ca4 In10 Pd8'
_cell_volume   457.51732750
_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  0.25000000  0.32712077  0.69987085  1.0
  Ca  Ca1  1  0.75000000  0.67287923  0.30012915  1.0
  Ca  Ca2  1  0.25000000  0.22358138  0.11444647  1.0
  Ca  Ca3  1  0.75000000  0.77641862  0.88555353  1.0
  In  In4  1  0.75000000  0.08544641  0.65333485  1.0
  In  In5  1  0.25000000  0.83607269  0.64815317  1.0
  In  In6  1  0.75000000  0.42874539  0.92595049  1.0
  In  In7  1  0.75000000  0.16392731  0.35184683  1.0
  In  In8  1  0.75000000  0.59034149  0.64158752  1.0
  In  In9  1  0.25000000  0.88868679  0.07090164  1.0
  In  In10  1  0.25000000  0.57125461  0.07404951  1.0
  In  In11  1  0.25000000  0.91455359  0.34666515  1.0
  In  In12  1  0.75000000  0.11131321  0.92909836  1.0
  In  In13  1  0.25000000  0.40965851  0.35841248  1.0
  Pd  Pd14  1  0.25000000  0.01688313  0.81432108  1.0
  Pd  Pd15  1  0.25000000  0.12405913  0.50489876  1.0
  Pd  Pd16  1  0.75000000  0.42339103  0.18679600  1.0
  Pd  Pd17  1  0.75000000  0.87594087  0.49510124  1.0
  Pd  Pd18  1  0.75000000  0.98311687  0.18567892  1.0
  Pd  Pd19  1  0.75000000  0.37178108  0.50233081  1.0
  Pd  Pd20  1  0.25000000  0.57660897  0.81320400  1.0
  Pd  Pd21  1  0.25000000  0.62821892  0.49766919  1.0