# generated using pymatgen
data_NiSnPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63730534
_cell_length_b   5.35618848
_cell_length_c   12.58452050
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnPRu
_chemical_formula_sum   'Ni4 Sn4 P4 Ru4'
_cell_volume   245.17279798
_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
  Ni  Ni0  1  0.75000000  0.50609663  0.40725732  1.0
  Ni  Ni1  1  0.25000000  0.49390337  0.59274268  1.0
  Ni  Ni2  1  0.25000000  0.00609663  0.09274268  1.0
  Ni  Ni3  1  0.75000000  0.99390337  0.90725732  1.0
  Sn  Sn4  1  0.25000000  0.26543016  0.28894165  1.0
  Sn  Sn5  1  0.75000000  0.73456984  0.71105835  1.0
  Sn  Sn6  1  0.75000000  0.76543016  0.21105835  1.0
  Sn  Sn7  1  0.25000000  0.23456984  0.78894165  1.0
  P  P8  1  0.75000000  0.23757365  0.05128182  1.0
  P  P9  1  0.25000000  0.76242635  0.94871818  1.0
  P  P10  1  0.25000000  0.73757365  0.44871818  1.0
  P  P11  1  0.75000000  0.26242635  0.55128182  1.0
  Ru  Ru12  1  0.25000000  0.49424296  0.09325634  1.0
  Ru  Ru13  1  0.75000000  0.50575704  0.90674366  1.0
  Ru  Ru14  1  0.75000000  0.99424296  0.40674366  1.0
  Ru  Ru15  1  0.25000000  0.00575704  0.59325634  1.0