# generated using pymatgen
data_Ba4Ni3P4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24293046
_cell_length_b   6.24890599
_cell_length_c   7.47991995
_cell_angle_alpha   89.37377458
_cell_angle_beta   89.42209891
_cell_angle_gamma   106.27369136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Ni3P4Ru
_chemical_formula_sum   'Ba4 Ni3 P4 Ru1'
_cell_volume   280.06842605
_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
  Ba  Ba0  1  0.18971298  0.81824726  0.49960573  1.0
  Ba  Ba1  1  0.68095604  0.31156991  0.00100618  1.0
  Ba  Ba2  1  0.81826920  0.18994773  0.49560398  1.0
  Ba  Ba3  1  0.31138382  0.68156552  0.00468474  1.0
  Ni  Ni4  1  0.38417135  0.38469901  0.61859172  1.0
  Ni  Ni5  1  0.61871453  0.61754910  0.38374641  1.0
  Ni  Ni6  1  0.11952689  0.11801070  0.12059331  1.0
  P  P7  1  0.17721536  0.18052767  0.82556308  1.0
  P  P8  1  0.66868037  0.67043446  0.66850741  1.0
  P  P9  1  0.82659361  0.82355127  0.17817014  1.0
  P  P10  1  0.32746654  0.32460433  0.32716871  1.0
  Ru  Ru11  1  0.87730932  0.87929004  0.87675958  1.0