# generated using pymatgen
data_Ta2Ni4P4Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94142561
_cell_length_b   6.94142519
_cell_length_c   6.79746577
_cell_angle_alpha   94.53439908
_cell_angle_beta   93.58017864
_cell_angle_gamma   149.47775108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Ni4P4Ru3
_chemical_formula_sum   'Ta2 Ni4 P4 Ru3'
_cell_volume   160.21292258
_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
  Ta  Ta0  1  0.19109822  0.12275995  0.31385918  1.0
  Ta  Ta1  1  0.80890178  0.87724005  0.68614082  1.0
  Ni  Ni2  1  0.60709452  0.08967325  0.69676877  1.0
  Ni  Ni3  1  0.39290548  0.91032675  0.30323123  1.0
  Ni  Ni4  1  0.09276933  0.39599647  0.48876480  1.0
  Ni  Ni5  1  0.90723067  0.60400353  0.51123520  1.0
  P  P6  1  0.75049094  0.42309940  0.17359034  1.0
  P  P7  1  0.24950906  0.57690060  0.82640966  1.0
  P  P8  1  0.44213790  0.24530568  0.68744458  1.0
  P  P9  1  0.55786210  0.75469432  0.31255542  1.0
  Ru  Ru10  1  0.87517588  0.18967689  0.06485276  1.0
  Ru  Ru11  1  0.12482412  0.81032311  0.93514724  1.0
  Ru  Ru12  1  0.50000000  0.50000000  0.00000000  1.0