# generated using pymatgen
data_Ca2Al2SiO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67636200
_cell_length_b   7.67636200
_cell_length_c   5.19082800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Al2SiO7
_chemical_formula_sum   'Ca4 Al4 Si2 O14'
_cell_volume   305.87750032
_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  0.84440200  0.34440200  0.48386300  1.0
  Ca  Ca1  1  0.15559800  0.65559800  0.48386300  1.0
  Ca  Ca2  1  0.65559800  0.84440200  0.51613700  1.0
  Ca  Ca3  1  0.34440200  0.15559800  0.51613700  1.0
  Al  Al4  1  0.64394000  0.14394000  0.02542700  1.0
  Al  Al5  1  0.35606000  0.85606000  0.02542700  1.0
  Al  Al6  1  0.85606000  0.64394000  0.97457300  1.0
  Al  Al7  1  0.14394000  0.35606000  0.97457300  1.0
  Si  Si8  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si9  1  0.50000000  0.50000000  0.00000000  1.0
  O  O10  1  0.64449800  0.14449800  0.69192900  1.0
  O  O11  1  0.40685200  0.65136200  0.17793300  1.0
  O  O12  1  0.35550200  0.85550200  0.69192900  1.0
  O  O13  1  0.34863800  0.40685200  0.82206700  1.0
  O  O14  1  0.14449800  0.35550200  0.30807100  1.0
  O  O15  1  0.65136200  0.59314800  0.82206700  1.0
  O  O16  1  0.84863800  0.09314800  0.17793300  1.0
  O  O17  1  0.50000000  0.00000000  0.17949500  1.0
  O  O18  1  0.00000000  0.50000000  0.82050500  1.0
  O  O19  1  0.15136200  0.90685200  0.17793300  1.0
  O  O20  1  0.09314800  0.15136200  0.82206700  1.0
  O  O21  1  0.85550200  0.64449800  0.30807100  1.0
  O  O22  1  0.90685200  0.84863800  0.82206700  1.0
  O  O23  1  0.59314800  0.34863800  0.17793300  1.0