# generated using pymatgen
data_Ca2SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61022400
_cell_length_b   3.61022400
_cell_length_c   6.39333868
_cell_angle_alpha   106.40006953
_cell_angle_beta   106.40006953
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SiO4
_chemical_formula_sum   'Ca2 Si1 O4'
_cell_volume   76.39795526
_cell_formula_units_Z   1
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  0.64624700  0.64624700  0.29249400  1.0
  Ca  Ca1  1  0.35375400  0.35375400  0.70750800  1.0
  Si  Si2  1  0.00000000  0.00000000  0.00000000  1.0
  O  O3  1  0.50000000  0.00000000  0.00000000  1.0
  O  O4  1  0.00000000  0.50000000  0.00000000  1.0
  O  O5  1  0.84463100  0.84463100  0.68926200  1.0
  O  O6  1  0.15536900  0.15536900  0.31073800  1.0