# generated using pymatgen
data_Ti4Si7Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17462209
_cell_length_b   9.17462310
_cell_length_c   9.17419049
_cell_angle_alpha   94.11396725
_cell_angle_beta   94.11396949
_cell_angle_gamma   148.92734332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Si7Ni4
_chemical_formula_sum   'Ti8 Si14 Ni8'
_cell_volume   384.00249844
_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
  Ti  Ti0  1  0.30981737  0.50004388  0.80976511  1.0
  Ti  Ti1  1  0.13470670  0.86529330  -0.00000038  1.0
  Ti  Ti2  1  0.50004333  0.30981803  0.80976494  1.0
  Ti  Ti3  1  0.69018222  0.49995703  0.19023491  1.0
  Ti  Ti4  1  0.86529279  0.13470685  -0.00000054  1.0
  Ti  Ti5  1  0.13468504  0.13468528  0.26941590  1.0
  Ti  Ti6  1  0.86531485  0.86531526  0.73058406  1.0
  Ti  Ti7  1  0.49995627  0.69018285  0.19023488  1.0
  Si  Si8  1  0.24889700  0.24889814  0.99997661  1.0
  Si  Si9  1  0.28988252  0.00001060  0.28988963  1.0
  Si  Si10  1  0.70527111  0.29472825  -0.00000102  1.0
  Si  Si11  1  0.29479940  0.29479860  0.58949350  1.0
  Si  Si12  1  0.70520113  0.70520066  0.41050564  1.0
  Si  Si13  1  0.29473085  0.70526848  -0.00000070  1.0
  Si  Si14  1  0.99999085  0.71011829  0.71011170  1.0
  Si  Si15  1  0.00000979  0.28988282  0.28988918  1.0
  Si  Si16  1  0.75110001  0.75110058  0.00002647  1.0
  Si  Si17  1  0.09343556  0.49999173  0.59341833  1.0
  Si  Si18  1  0.50000790  0.90656216  0.40657748  1.0
  Si  Si19  1  0.49999225  0.09343597  0.59341829  1.0
  Si  Si20  1  0.90656219  0.50000710  0.40657814  1.0
  Si  Si21  1  0.71011773  0.99999157  0.71011211  1.0
  Ni  Ni22  1  0.60142058  0.10140495  0.20284211  1.0
  Ni  Ni23  1  0.89859279  0.39857791  0.79715638  1.0
  Ni  Ni24  1  0.10141012  0.89859210  0.50000176  1.0
  Ni  Ni25  1  0.60141870  0.39858337  0.50000172  1.0
  Ni  Ni26  1  0.39858076  0.89859383  0.79715633  1.0
  Ni  Ni27  1  0.10140637  0.60141954  0.20284172  1.0
  Ni  Ni28  1  0.89859019  0.10140936  0.50000140  1.0
  Ni  Ni29  1  0.39858363  0.60142050  0.50000135  1.0