# generated using pymatgen
data_Ca2(As2Pd7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77238045
_cell_length_b   8.77238006
_cell_length_c   8.77237927
_cell_angle_alpha   60.00000298
_cell_angle_beta   60.00000445
_cell_angle_gamma   60.00000150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2(As2Pd7)3
_chemical_formula_sum   'Ca2 As6 Pd21'
_cell_volume   477.35044230
_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  0.75000000  0.75000000  0.75000000  1.0
  Ca  Ca1  1  0.25000000  0.25000000  0.25000000  1.0
  As  As2  1  0.73835010  0.73835010  0.26164990  1.0
  As  As3  1  0.26164990  0.73835010  0.26164990  1.0
  As  As4  1  0.73835010  0.26164990  0.26164990  1.0
  As  As5  1  0.26164990  0.26164990  0.73835010  1.0
  As  As6  1  0.73835010  0.26164990  0.73835010  1.0
  As  As7  1  0.26164990  0.73835010  0.73835010  1.0
  Pd  Pd8  1  0.00000000  0.00000000  0.00000000  1.0
  Pd  Pd9  1  0.61541463  0.61541463  0.15375812  1.0
  Pd  Pd10  1  0.61541463  0.15375812  0.61541463  1.0
  Pd  Pd11  1  0.15375812  0.61541463  0.61541463  1.0
  Pd  Pd12  1  0.61541463  0.61541463  0.61541463  1.0
  Pd  Pd13  1  0.38458537  0.38458537  0.84624188  1.0
  Pd  Pd14  1  0.38458537  0.84624188  0.38458537  1.0
  Pd  Pd15  1  0.84624188  0.38458537  0.38458537  1.0
  Pd  Pd16  1  0.38458537  0.38458537  0.38458537  1.0
  Pd  Pd17  1  0.00000000  0.00000000  0.34782514  1.0
  Pd  Pd18  1  0.65217486  0.00000000  0.34782514  1.0
  Pd  Pd19  1  1.00000000  0.65217486  0.34782514  1.0
  Pd  Pd20  1  0.65217486  0.34782514  0.00000000  1.0
  Pd  Pd21  1  0.00000000  0.34782514  1.00000000  1.0
  Pd  Pd22  1  0.00000000  0.34782514  0.65217486  1.0
  Pd  Pd23  1  0.34782514  0.65217486  1.00000000  1.0
  Pd  Pd24  1  0.34782514  0.00000000  0.65217486  1.0
  Pd  Pd25  1  0.34782514  0.00000000  1.00000000  1.0
  Pd  Pd26  1  0.00000000  0.00000000  0.65217486  1.0
  Pd  Pd27  1  1.00000000  0.65217486  0.00000000  1.0
  Pd  Pd28  1  0.65217486  0.00000000  0.00000000  1.0