# generated using pymatgen
data_Ca2Al2SiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71943289
_cell_length_b   7.71943289
_cell_length_c   7.71943289
_cell_angle_alpha   109.08942181
_cell_angle_beta   109.08942181
_cell_angle_gamma   110.23754684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Al2SiO8
_chemical_formula_sum   'Ca4 Al4 Si2 O16'
_cell_volume   354.05924263
_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  0.69500700  0.69500700  0.69532700  1.0
  Ca  Ca1  1  0.99968000  0.99968000  0.30467300  1.0
  Ca  Ca2  1  0.30499300  0.00032000  0.00000000  1.0
  Ca  Ca3  1  0.00032000  0.30499300  0.00000000  1.0
  Al  Al4  1  0.75203300  0.50000000  0.25203300  1.0
  Al  Al5  1  0.50000000  0.24796700  0.74796700  1.0
  Al  Al6  1  0.50000000  0.75203300  0.25203300  1.0
  Al  Al7  1  0.24796700  0.50000000  0.74796700  1.0
  Si  Si8  1  0.25000000  0.75000000  0.50000000  1.0
  Si  Si9  1  0.75000000  0.25000000  0.50000000  1.0
  O  O10  1  0.20268400  0.20268400  0.19529700  1.0
  O  O11  1  0.00738700  0.00738700  0.80470300  1.0
  O  O12  1  0.79731600  0.99261300  0.00000000  1.0
  O  O13  1  0.99261300  0.79731600  0.00000000  1.0
  O  O14  1  0.42913600  0.42913600  0.70629300  1.0
  O  O15  1  0.43106100  0.72410900  0.44536600  1.0
  O  O16  1  0.72410900  0.43106100  0.44536600  1.0
  O  O17  1  0.72284300  0.72284300  0.29370700  1.0
  O  O18  1  0.27874300  0.98569400  0.55463400  1.0
  O  O19  1  0.98569400  0.27874300  0.55463400  1.0
  O  O20  1  0.57086400  0.27715700  0.00000000  1.0
  O  O21  1  0.56893900  0.01430600  0.29304800  1.0
  O  O22  1  0.27589100  0.72125700  0.70695200  1.0
  O  O23  1  0.27715700  0.57086400  0.00000000  1.0
  O  O24  1  0.72125700  0.27589100  0.70695200  1.0
  O  O25  1  0.01430500  0.56893900  0.29304800  1.0