# generated using pymatgen
data_CaPdF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54375797
_cell_length_b   5.54375778
_cell_length_c   6.55600893
_cell_angle_alpha   115.01147292
_cell_angle_beta   115.01146739
_cell_angle_gamma   89.99999538
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPdF4
_chemical_formula_sum   'Ca2 Pd2 F8'
_cell_volume   161.50208990
_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  0.25000000  0.50000000  1.0
  Ca  Ca1  1  0.75000000  0.75000000  0.50000000  1.0
  Pd  Pd2  1  -0.00000000  0.50000000  0.00000000  1.0
  Pd  Pd3  1  0.50000000  0.00000000  0.00000000  1.0
  F  F4  1  0.96002893  0.46002893  0.27255495  1.0
  F  F5  1  0.68747398  0.18747398  0.72744505  1.0
  F  F6  1  0.03997107  0.53997107  0.72744505  1.0
  F  F7  1  0.18747398  0.03997107  0.72744505  1.0
  F  F8  1  0.31252602  0.81252602  0.27255495  1.0
  F  F9  1  0.46002893  0.31252602  0.27255495  1.0
  F  F10  1  0.81252602  0.96002893  0.27255495  1.0
  F  F11  1  0.53997107  0.68747398  0.72744505  1.0