# generated using pymatgen
data_Nb2Ni12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94647290
_cell_length_b   8.94647324
_cell_length_c   3.46878756
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Ni12P7
_chemical_formula_sum   'Nb2 Ni12 P7'
_cell_volume   240.44296485
_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
  Nb  Nb0  1  0.66666700  0.33333300  0.50000000  1.0
  Nb  Nb1  1  0.33333300  0.66666700  0.00000000  1.0
  Ni  Ni2  1  0.10894292  0.83332809  0.00000000  1.0
  Ni  Ni3  1  0.39333596  0.43363534  0.50000000  1.0
  Ni  Ni4  1  0.72438518  0.89105708  0.00000000  1.0
  Ni  Ni5  1  0.56636466  0.95969962  0.50000000  1.0
  Ni  Ni6  1  0.21680854  0.08266380  0.50000000  1.0
  Ni  Ni7  1  0.86585627  0.78319146  0.50000000  1.0
  Ni  Ni8  1  0.91733620  0.13414373  0.50000000  1.0
  Ni  Ni9  1  0.94702538  0.37113895  0.00000000  1.0
  Ni  Ni10  1  0.62886105  0.57588642  0.00000000  1.0
  Ni  Ni11  1  0.42411358  0.05297462  0.00000000  1.0
  Ni  Ni12  1  0.04030038  0.60666404  0.50000000  1.0
  Ni  Ni13  1  0.16667191  0.27561482  0.00000000  1.0
  P  P14  1  0.00000000  0.00000000  0.00000000  1.0
  P  P15  1  0.58148695  0.71305703  0.50000000  1.0
  P  P16  1  0.70640357  0.12997428  0.00000000  1.0
  P  P17  1  0.87002572  0.57642930  0.00000000  1.0
  P  P18  1  0.42357070  0.29359643  0.00000000  1.0
  P  P19  1  0.28694297  0.86842992  0.50000000  1.0
  P  P20  1  0.13157008  0.41851305  0.50000000  1.0