# generated using pymatgen
data_CaTiSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77274500
_cell_length_b   6.66462800
_cell_length_c   7.14235574
_cell_angle_alpha   65.87183501
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTiSiO5
_chemical_formula_sum   'Ca4 Ti4 Si4 O20'
_cell_volume   381.10902065
_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  0.92152700  0.25036900  0.25363400  1.0
  Ca  Ca1  1  0.57847300  0.25036900  0.75363400  1.0
  Ca  Ca2  1  0.42152700  0.74963100  0.24636600  1.0
  Ca  Ca3  1  0.07847300  0.74963100  0.74636600  1.0
  Ti  Ti4  1  0.25207100  0.25021700  0.50705700  1.0
  Ti  Ti5  1  0.74792900  0.74978300  0.49294300  1.0
  Ti  Ti6  1  0.24792900  0.25021700  0.00705700  1.0
  Ti  Ti7  1  0.75207100  0.74978300  0.99294300  1.0
  Si  Si8  1  0.06958200  0.75043900  0.24903700  1.0
  Si  Si9  1  0.56958200  0.24956100  0.25096300  1.0
  Si  Si10  1  0.93041800  0.24956100  0.75096300  1.0
  Si  Si11  1  0.43041800  0.75043900  0.74903700  1.0
  O  O12  1  0.46327900  0.15083900  0.11651400  1.0
  O  O13  1  0.96327900  0.84916100  0.38348600  1.0
  O  O14  1  0.53672100  0.84916100  0.88348600  1.0
  O  O15  1  0.03672100  0.15083900  0.61651400  1.0
  O  O16  1  0.03639300  0.34903300  0.88485400  1.0
  O  O17  1  0.53639300  0.65096700  0.61514600  1.0
  O  O18  1  0.96360700  0.65096700  0.11514600  1.0
  O  O19  1  0.46360700  0.34903300  0.38485400  1.0
  O  O20  1  0.31319000  0.93649800  0.59167800  1.0
  O  O21  1  0.81319000  0.06350200  0.90832200  1.0
  O  O22  1  0.68681000  0.06350200  0.40832200  1.0
  O  O23  1  0.18681000  0.93649800  0.09167800  1.0
  O  O24  1  0.31918100  0.24979500  0.74986600  1.0
  O  O25  1  0.81918100  0.75020500  0.75013400  1.0
  O  O26  1  0.68081900  0.75020500  0.25013400  1.0
  O  O27  1  0.18081900  0.24979500  0.24986600  1.0
  O  O28  1  0.31348500  0.56418100  0.90679100  1.0
  O  O29  1  0.81348500  0.43581900  0.59320900  1.0
  O  O30  1  0.68651500  0.43581900  0.09320900  1.0
  O  O31  1  0.18651500  0.56418100  0.40679100  1.0