# generated using pymatgen
data_Ba(Ni5P3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72396893
_cell_length_b   8.72396893
_cell_length_c   8.77426400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   136.74824925
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(Ni5P3)2
_chemical_formula_sum   'Ba2 Ni20 P12'
_cell_volume   457.57216488
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.50000000  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni2  1  0.20913400  0.79086600  0.29356600  1.0
  Ni  Ni3  1  0.29086600  0.70913400  0.79356600  1.0
  Ni  Ni4  1  0.91175500  0.58824500  0.75000000  1.0
  Ni  Ni5  1  0.70913400  0.29086600  0.20643400  1.0
  Ni  Ni6  1  0.08824500  0.41175500  0.25000000  1.0
  Ni  Ni7  1  0.41175500  0.08824500  0.75000000  1.0
  Ni  Ni8  1  0.95467900  0.04532100  0.88148200  1.0
  Ni  Ni9  1  0.04532100  0.95467900  0.11851800  1.0
  Ni  Ni10  1  0.54532100  0.45467900  0.38148200  1.0
  Ni  Ni11  1  0.45467900  0.54532100  0.61851800  1.0
  Ni  Ni12  1  0.47619300  0.12641300  0.47108900  1.0
  Ni  Ni13  1  0.12641300  0.47619300  0.52891100  1.0
  Ni  Ni14  1  0.02380700  0.37358700  0.97108900  1.0
  Ni  Ni15  1  0.37358700  0.02380700  0.02891100  1.0
  Ni  Ni16  1  0.52380700  0.87358700  0.52891100  1.0
  Ni  Ni17  1  0.87358700  0.52380700  0.47108900  1.0
  Ni  Ni18  1  0.97619300  0.62641300  0.02891100  1.0
  Ni  Ni19  1  0.62641300  0.97619300  0.97108900  1.0
  Ni  Ni20  1  0.58824500  0.91175500  0.25000000  1.0
  Ni  Ni21  1  0.79086600  0.20913400  0.70643400  1.0
  P  P22  1  0.14048100  0.35951900  0.75000000  1.0
  P  P23  1  0.35951900  0.14048100  0.25000000  1.0
  P  P24  1  0.41008400  0.58991600  0.37271300  1.0
  P  P25  1  0.58991600  0.41008400  0.62728700  1.0
  P  P26  1  0.08991600  0.91008400  0.87271300  1.0
  P  P27  1  0.91008400  0.08991600  0.12728700  1.0
  P  P28  1  0.29138300  0.70861700  0.07471400  1.0
  P  P29  1  0.70861700  0.29138300  0.92528600  1.0
  P  P30  1  0.20861700  0.79138300  0.57471400  1.0
  P  P31  1  0.79138300  0.20861700  0.42528600  1.0
  P  P32  1  0.85951900  0.64048100  0.25000000  1.0
  P  P33  1  0.64048100  0.85951900  0.75000000  1.0