# generated using pymatgen
data_Ti5BeP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39565476
_cell_length_b   9.39915377
_cell_length_c   15.98580287
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5BeP3
_chemical_formula_sum   'Ti20 Be4 P12'
_cell_volume   510.20738032
_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
  Ti  Ti0  1  0.25000000  0.12191130  0.47739238  1.0
  Ti  Ti1  1  0.75000000  0.87808870  0.52260762  1.0
  Ti  Ti2  1  0.75000000  0.62191130  0.02260762  1.0
  Ti  Ti3  1  0.25000000  0.37808870  0.97739238  1.0
  Ti  Ti4  1  0.25000000  0.06458467  0.07901651  1.0
  Ti  Ti5  1  0.75000000  0.93541533  0.92098349  1.0
  Ti  Ti6  1  0.75000000  0.56458467  0.42098349  1.0
  Ti  Ti7  1  0.25000000  0.43541533  0.57901651  1.0
  Ti  Ti8  1  0.25000000  0.48689686  0.27048651  1.0
  Ti  Ti9  1  0.75000000  0.51310314  0.72951349  1.0
  Ti  Ti10  1  0.75000000  0.98689686  0.22951349  1.0
  Ti  Ti11  1  0.25000000  0.01310314  0.77048651  1.0
  Ti  Ti12  1  0.25000000  0.81307436  0.37083908  1.0
  Ti  Ti13  1  0.75000000  0.18692564  0.62916092  1.0
  Ti  Ti14  1  0.75000000  0.31307436  0.12916092  1.0
  Ti  Ti15  1  0.25000000  0.68692564  0.87083908  1.0
  Ti  Ti16  1  0.25000000  0.75292048  0.16997194  1.0
  Ti  Ti17  1  0.75000000  0.24707952  0.83002806  1.0
  Ti  Ti18  1  0.75000000  0.25292048  0.33002806  1.0
  Ti  Ti19  1  0.25000000  0.74707952  0.66997194  1.0
  Be  Be20  1  0.25000000  0.37249669  0.41557708  1.0
  Be  Be21  1  0.75000000  0.62750331  0.58442292  1.0
  Be  Be22  1  0.75000000  0.87249669  0.08442292  1.0
  Be  Be23  1  0.25000000  0.12750331  0.91557708  1.0
  P  P24  1  0.25000000  0.81703660  0.01051656  1.0
  P  P25  1  0.75000000  0.18296340  0.98948344  1.0
  P  P26  1  0.75000000  0.31703660  0.48948344  1.0
  P  P27  1  0.25000000  0.68296340  0.51051656  1.0
  P  P28  1  0.25000000  0.50684541  0.11493273  1.0
  P  P29  1  0.75000000  0.49315459  0.88506727  1.0
  P  P30  1  0.75000000  0.00684541  0.38506727  1.0
  P  P31  1  0.25000000  0.99315459  0.61493273  1.0
  P  P32  1  0.25000000  0.19177558  0.22086603  1.0
  P  P33  1  0.75000000  0.80822442  0.77913397  1.0
  P  P34  1  0.75000000  0.69177558  0.27913397  1.0
  P  P35  1  0.25000000  0.30822442  0.72086603  1.0