# generated using pymatgen
data_Ca3SiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25092367
_cell_length_b   7.25092367
_cell_length_c   5.55778500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3SiO5
_chemical_formula_sum   'Ca6 Si2 O10'
_cell_volume   253.05740700
_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  0.15102600  0.84897400  0.76570400  1.0
  Ca  Ca1  1  0.15102600  0.30205200  0.76570400  1.0
  Ca  Ca2  1  0.30205200  0.15102600  0.26570400  1.0
  Ca  Ca3  1  0.69794800  0.84897400  0.76570400  1.0
  Ca  Ca4  1  0.84897400  0.69794800  0.26570400  1.0
  Ca  Ca5  1  0.84897400  0.15102600  0.26570400  1.0
  Si  Si6  1  0.33333300  0.66666700  0.23561000  1.0
  Si  Si7  1  0.66666700  0.33333300  0.73561000  1.0
  O  O8  1  0.20931100  0.79068900  0.33564300  1.0
  O  O9  1  0.00000000  0.00000000  0.52436000  1.0
  O  O10  1  0.00000000  0.00000000  0.02436000  1.0
  O  O11  1  0.20931100  0.41862200  0.33564300  1.0
  O  O12  1  0.33333300  0.66666700  0.93464800  1.0
  O  O13  1  0.58137800  0.79068900  0.33564300  1.0
  O  O14  1  0.41862200  0.20931100  0.83564300  1.0
  O  O15  1  0.66666700  0.33333300  0.43464800  1.0
  O  O16  1  0.79068900  0.58137800  0.83564300  1.0
  O  O17  1  0.79068900  0.20931100  0.83564300  1.0