# generated using pymatgen
data_Ca2SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81557400
_cell_length_b   5.57569900
_cell_length_c   10.52285396
_cell_angle_alpha   62.69112893
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SiO4
_chemical_formula_sum   'Ca8 Si4 O16'
_cell_volume   355.31645449
_cell_formula_units_Z   4
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  0.50331600  0.48116100  0.79748500  1.0
  Ca  Ca1  1  0.00331600  0.51883900  0.70251500  1.0
  Ca  Ca2  1  0.49668400  0.51883900  0.20251500  1.0
  Ca  Ca3  1  0.99668400  0.48116100  0.29748500  1.0
  Ca  Ca4  1  0.15891600  0.20447500  0.06902600  1.0
  Ca  Ca5  1  0.65891600  0.79552500  0.43097400  1.0
  Ca  Ca6  1  0.84108400  0.79552500  0.93097400  1.0
  Ca  Ca7  1  0.34108400  0.20447500  0.56902600  1.0
  Si  Si8  1  0.71899200  0.15027800  0.08153700  1.0
  Si  Si9  1  0.21899200  0.84972200  0.41846300  1.0
  Si  Si10  1  0.28100800  0.84972200  0.91846300  1.0
  Si  Si11  1  0.78100800  0.15027800  0.58153700  1.0
  O  O12  1  0.83069700  0.22119500  0.92769100  1.0
  O  O13  1  0.33069700  0.77880500  0.57230900  1.0
  O  O14  1  0.16930300  0.77880500  0.07230900  1.0
  O  O15  1  0.66930300  0.22119500  0.42769100  1.0
  O  O16  1  0.83209300  0.35075900  0.13621800  1.0
  O  O17  1  0.33209300  0.64924100  0.36378200  1.0
  O  O18  1  0.16790700  0.64924100  0.86378200  1.0
  O  O19  1  0.66790700  0.35075900  0.63621800  1.0
  O  O20  1  0.74872100  0.82827800  0.19559800  1.0
  O  O21  1  0.24872100  0.17172200  0.30440200  1.0
  O  O22  1  0.25127900  0.17172200  0.80440200  1.0
  O  O23  1  0.75127900  0.82827800  0.69559800  1.0
  O  O24  1  0.01263200  0.22514800  0.55594500  1.0
  O  O25  1  0.51263200  0.77485200  0.94405500  1.0
  O  O26  1  0.98736800  0.77485200  0.44405500  1.0
  O  O27  1  0.48736800  0.22514800  0.05594500  1.0