# generated using pymatgen
data_Ca2As7Pd12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07134843
_cell_length_b   10.07134830
_cell_length_c   4.07647813
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2As7Pd12
_chemical_formula_sum   'Ca2 As7 Pd12'
_cell_volume   358.08899072
_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  0.66666700  0.33333300  0.24378491  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.75203854  1.0
  As  As2  1  0.33333300  0.66666700  0.49053653  1.0
  As  As3  1  0.74482508  0.78520768  0.25203426  1.0
  As  As4  1  0.04038260  0.25517492  0.25203426  1.0
  As  As5  1  0.21479232  0.95961740  0.25203426  1.0
  As  As6  1  0.92162500  0.54836001  0.74394718  1.0
  As  As7  1  0.62673401  0.07837500  0.74394718  1.0
  As  As8  1  0.45163999  0.37326599  0.74394718  1.0
  Pd  Pd9  1  0.77086611  0.04536486  0.25036360  1.0
  Pd  Pd10  1  0.27449775  0.22913389  0.25036360  1.0
  Pd  Pd11  1  0.95463514  0.72550225  0.25036360  1.0
  Pd  Pd12  1  0.89639055  0.28790725  0.74511202  1.0
  Pd  Pd13  1  0.39151571  0.10360945  0.74511202  1.0
  Pd  Pd14  1  0.71209275  0.60848429  0.74511202  1.0
  Pd  Pd15  1  0.47804237  0.55693830  0.22653481  1.0
  Pd  Pd16  1  0.07889492  0.52195763  0.22653481  1.0
  Pd  Pd17  1  0.44306170  0.92110508  0.22653481  1.0
  Pd  Pd18  1  0.18972383  0.77489463  0.77039248  1.0
  Pd  Pd19  1  0.58517081  0.81027617  0.77039248  1.0
  Pd  Pd20  1  0.22510537  0.41482919  0.77039248  1.0