# generated using pymatgen
data_Ti27CuP16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45023680
_cell_length_b   7.45023680
_cell_length_c   27.25579941
_cell_angle_alpha   75.76413420
_cell_angle_beta   75.76413420
_cell_angle_gamma   26.44074473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti27CuP16
_chemical_formula_sum   'Ti27 Cu1 P16'
_cell_volume   651.78776302
_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
  Ti  Ti0  1  0.99757500  0.99757500  0.33105000  1.0
  Ti  Ti1  1  0.99705600  0.99705600  0.83117500  1.0
  Ti  Ti2  1  0.00249500  0.00249500  0.16840500  1.0
  Ti  Ti3  1  0.00280000  0.00280000  0.66878000  1.0
  Ti  Ti4  1  0.66038800  0.66038800  0.01624900  1.0
  Ti  Ti5  1  0.65999200  0.65999200  0.51589000  1.0
  Ti  Ti6  1  0.33931700  0.33931700  0.48397200  1.0
  Ti  Ti7  1  0.33989800  0.33989800  0.98307300  1.0
  Ti  Ti8  1  0.82089500  0.82089500  0.26889600  1.0
  Ti  Ti9  1  0.82142500  0.82142500  0.77111400  1.0
  Ti  Ti10  1  0.17832000  0.17832000  0.22970200  1.0
  Ti  Ti11  1  0.17848200  0.17848200  0.72883400  1.0
  Ti  Ti12  1  0.79401100  0.79401100  0.39646500  1.0
  Ti  Ti13  1  0.79394400  0.79394400  0.89698200  1.0
  Ti  Ti14  1  0.20850600  0.20850600  0.10433800  1.0
  Ti  Ti15  1  0.20582700  0.20582700  0.60301700  1.0
  Ti  Ti16  1  0.99900300  0.99900300  0.00107000  1.0
  Ti  Ti17  1  0.99998100  0.99998100  0.49990900  1.0
  Ti  Ti18  1  0.56960700  0.56960700  0.41541600  1.0
  Ti  Ti19  1  0.57047300  0.57047300  0.91531300  1.0
  Ti  Ti20  1  0.42335500  0.42335500  0.08794500  1.0
  Ti  Ti21  1  0.42991200  0.42991200  0.58466100  1.0
  Ti  Ti22  1  0.50216600  0.50216600  0.24840900  1.0
  Ti  Ti23  1  0.49997000  0.49997000  0.74991700  1.0
  Ti  Ti24  1  0.80441200  0.80441200  0.65356500  1.0
  Ti  Ti25  1  0.19617300  0.19617300  0.34609200  1.0
  Ti  Ti26  1  0.19545000  0.19545000  0.84658900  1.0
  Cu  Cu27  1  0.80419700  0.80419700  0.15941500  1.0
  P  P28  1  0.63439600  0.63439600  0.17020700  1.0
  P  P29  1  0.63011400  0.63011400  0.67099800  1.0
  P  P30  1  0.37062300  0.37062300  0.32750700  1.0
  P  P31  1  0.36990300  0.36990300  0.82898900  1.0
  P  P32  1  0.82121700  0.82121700  0.05221500  1.0
  P  P33  1  0.82204400  0.82204400  0.55462200  1.0
  P  P34  1  0.17821500  0.17821500  0.44522400  1.0
  P  P35  1  0.17787100  0.17787100  0.94581700  1.0
  P  P36  1  0.93829600  0.93829600  0.42466800  1.0
  P  P37  1  0.93954400  0.93954400  0.92465200  1.0
  P  P38  1  0.06001100  0.06001100  0.07667000  1.0
  P  P39  1  0.06154200  0.06154200  0.57513500  1.0
  P  P40  1  0.62942400  0.62942400  0.30064500  1.0
  P  P41  1  0.62813900  0.62813900  0.80133700  1.0
  P  P42  1  0.37150900  0.37150900  0.19634100  1.0
  P  P43  1  0.37152100  0.37152100  0.69872800  1.0