# generated using pymatgen
data_CaAl2Si2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56875715
_cell_length_b   9.56875715
_cell_length_c   9.56875748
_cell_angle_alpha   95.54030686
_cell_angle_beta   95.54030686
_cell_angle_gamma   95.54030540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl2Si2(ClO4)2
_chemical_formula_sum   'Ca3 Al6 Si6 Cl6 O24'
_cell_volume   862.98944291
_cell_formula_units_Z   3
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  0.77022000  0.77022000  0.77022000  1.0
  Ca  Ca1  1  0.23498700  0.23498700  0.23498700  1.0
  Ca  Ca2  1  0.98491200  0.98491200  0.98491200  1.0
  Al  Al3  1  0.66756700  0.10596600  0.88669500  1.0
  Al  Al4  1  0.88669500  0.10596600  0.66756700  1.0
  Al  Al5  1  0.10596600  0.88669500  0.66756700  1.0
  Al  Al6  1  0.10596600  0.66756700  0.88669500  1.0
  Al  Al7  1  0.88669500  0.66756700  0.10596600  1.0
  Al  Al8  1  0.66756700  0.88669500  0.10596600  1.0
  Si  Si9  1  0.32433600  0.89869100  0.11091400  1.0
  Si  Si10  1  0.11091400  0.89869100  0.32433600  1.0
  Si  Si11  1  0.89869100  0.11091400  0.32433600  1.0
  Si  Si12  1  0.89869100  0.32433600  0.11091400  1.0
  Si  Si13  1  0.11091400  0.32433600  0.89869100  1.0
  Si  Si14  1  0.32433600  0.11091400  0.89869100  1.0
  Cl  Cl15  1  0.54622000  0.73904100  0.54622000  1.0
  Cl  Cl16  1  0.73904100  0.54622000  0.54622000  1.0
  Cl  Cl17  1  0.54622000  0.54622000  0.73904100  1.0
  Cl  Cl18  1  0.45543000  0.25714500  0.45543000  1.0
  Cl  Cl19  1  0.25714500  0.45543000  0.45543000  1.0
  Cl  Cl20  1  0.45543000  0.45543000  0.25714500  1.0
  O  O21  1  0.71485200  0.09201200  0.71485200  1.0
  O  O22  1  0.09201200  0.71485200  0.71485200  1.0
  O  O23  1  0.71485200  0.71485200  0.09201200  1.0
  O  O24  1  0.26940800  0.91016100  0.26940800  1.0
  O  O25  1  0.91016100  0.26940800  0.26940800  1.0
  O  O26  1  0.26940800  0.26940800  0.91016100  1.0
  O  O27  1  0.94316000  0.72607100  0.94316000  1.0
  O  O28  1  0.72607100  0.94316000  0.94316000  1.0
  O  O29  1  0.94316000  0.94316000  0.72607100  1.0
  O  O30  1  0.05705900  0.28067700  0.05705900  1.0
  O  O31  1  0.28067700  0.05705900  0.05705900  1.0
  O  O32  1  0.05705900  0.05705900  0.28067700  1.0
  O  O33  1  0.12227700  0.49066400  0.89612600  1.0
  O  O34  1  0.89612600  0.49066400  0.12227700  1.0
  O  O35  1  0.49066400  0.89612600  0.12227700  1.0
  O  O36  1  0.49066400  0.12227700  0.89612600  1.0
  O  O37  1  0.89612600  0.12227700  0.49066400  1.0
  O  O38  1  0.12227700  0.89612600  0.49066400  1.0
  O  O39  1  0.23128300  0.00173100  0.78001000  1.0
  O  O40  1  0.78001000  0.00173100  0.23128300  1.0
  O  O41  1  0.00173100  0.78001000  0.23128300  1.0
  O  O42  1  0.00173100  0.23128300  0.78001000  1.0
  O  O43  1  0.78001000  0.23128300  0.00173100  1.0
  O  O44  1  0.23128300  0.78001000  0.00173100  1.0