# generated using pymatgen
data_CaPa3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60880684
_cell_length_b   6.60880645
_cell_length_c   10.80459669
_cell_angle_alpha   65.87519205
_cell_angle_beta   65.87519272
_cell_angle_gamma   48.25462444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa3O8
_chemical_formula_sum   'Ca2 Pa6 O16'
_cell_volume   314.80995901
_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  0.49982174  0.50017826  0.25000000  1.0
  Ca  Ca1  1  0.50017826  0.49982174  0.75000000  1.0
  Pa  Pa2  1  0.00000000  0.00000000  0.50000000  1.0
  Pa  Pa3  1  0.00000000  0.00000000  0.00000000  1.0
  Pa  Pa4  1  0.25017851  0.24975392  0.62500338  1.0
  Pa  Pa5  1  0.75024608  0.74982149  0.87499662  1.0
  Pa  Pa6  1  0.74982149  0.75024608  0.37499662  1.0
  Pa  Pa7  1  0.24975392  0.25017851  0.12500338  1.0
  O  O8  1  0.88671885  0.37129619  0.05644877  1.0
  O  O9  1  0.62870381  0.11328115  0.44355123  1.0
  O  O10  1  0.11328115  0.62870381  0.94355123  1.0
  O  O11  1  0.37129619  0.88671885  0.55644877  1.0
  O  O12  1  0.37043631  0.88760964  0.05634743  1.0
  O  O13  1  0.11239036  0.62956369  0.44365257  1.0
  O  O14  1  0.62956369  0.11239036  0.94365257  1.0
  O  O15  1  0.88760964  0.37043631  0.55634743  1.0
  O  O16  1  0.88671461  0.37130796  0.31457465  1.0
  O  O17  1  0.62869204  0.11328539  0.18542535  1.0
  O  O18  1  0.11328539  0.62869204  0.68542535  1.0
  O  O19  1  0.37130796  0.88671461  0.81457465  1.0
  O  O20  1  0.88761238  0.37049736  0.81461982  1.0
  O  O21  1  0.62950264  0.11238762  0.68538018  1.0
  O  O22  1  0.11238762  0.62950264  0.18538018  1.0
  O  O23  1  0.37049736  0.88761238  0.31461982  1.0