# generated using pymatgen
data_Ca2AlSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78737900
_cell_length_b   7.78737900
_cell_length_c   5.08893500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlSi2O7
_chemical_formula_sum   'Ca4 Al2 Si4 O14'
_cell_volume   308.60966782
_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  0.16410100  0.33589900  0.51362700  1.0
  Ca  Ca1  1  0.83589900  0.66410100  0.51362700  1.0
  Ca  Ca2  1  0.66410100  0.16410100  0.48637300  1.0
  Ca  Ca3  1  0.33589900  0.83589900  0.48637300  1.0
  Al  Al4  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al5  1  0.50000000  0.50000000  0.00000000  1.0
  Si  Si6  1  0.64154100  0.85845900  0.96182100  1.0
  Si  Si7  1  0.35845900  0.14154100  0.96182100  1.0
  Si  Si8  1  0.14154100  0.64154100  0.03817900  1.0
  Si  Si9  1  0.85845900  0.35845900  0.03817900  1.0
  O  O10  1  0.00000000  0.50000000  0.17304400  1.0
  O  O11  1  0.50000000  0.00000000  0.82695600  1.0
  O  O12  1  0.08332600  0.82396100  0.19152700  1.0
  O  O13  1  0.91667400  0.17603900  0.19152700  1.0
  O  O14  1  0.17603900  0.08332600  0.80847300  1.0
  O  O15  1  0.41667400  0.32396100  0.80847300  1.0
  O  O16  1  0.82396100  0.91667400  0.80847300  1.0
  O  O17  1  0.58332600  0.67603900  0.80847300  1.0
  O  O18  1  0.32396100  0.58332600  0.19152700  1.0
  O  O19  1  0.67603900  0.41667400  0.19152700  1.0
  O  O20  1  0.63630600  0.86369400  0.28057300  1.0
  O  O21  1  0.36369400  0.13630600  0.28057300  1.0
  O  O22  1  0.13630600  0.63630600  0.71942700  1.0
  O  O23  1  0.86369400  0.36369400  0.71942700  1.0