# generated using pymatgen
data_LuHf(NiP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67326756
_cell_length_b   10.02562993
_cell_length_c   12.19663259
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuHf(NiP)3
_chemical_formula_sum   'Lu4 Hf4 Ni12 P12'
_cell_volume   449.16320678
_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
  Lu  Lu0  1  0.25000000  0.07060829  0.20889918  1.0
  Lu  Lu1  1  0.75000000  0.92939171  0.79110082  1.0
  Lu  Lu2  1  0.75000000  0.57060829  0.29110082  1.0
  Lu  Lu3  1  0.25000000  0.42939171  0.70889918  1.0
  Hf  Hf4  1  0.25000000  0.16009222  0.49787842  1.0
  Hf  Hf5  1  0.75000000  0.83990778  0.50212158  1.0
  Hf  Hf6  1  0.75000000  0.66009222  0.00212158  1.0
  Hf  Hf7  1  0.25000000  0.33990778  0.99787842  1.0
  Ni  Ni8  1  0.25000000  0.72732283  0.66446746  1.0
  Ni  Ni9  1  0.75000000  0.27267717  0.33553254  1.0
  Ni  Ni10  1  0.75000000  0.22732283  0.83553254  1.0
  Ni  Ni11  1  0.25000000  0.77267717  0.16446746  1.0
  Ni  Ni12  1  0.25000000  0.36531983  0.21832013  1.0
  Ni  Ni13  1  0.75000000  0.63468017  0.78167987  1.0
  Ni  Ni14  1  0.75000000  0.86531983  0.28167987  1.0
  Ni  Ni15  1  0.25000000  0.13468017  0.71832013  1.0
  Ni  Ni16  1  0.25000000  0.59590402  0.48212068  1.0
  Ni  Ni17  1  0.75000000  0.40409598  0.51787932  1.0
  Ni  Ni18  1  0.75000000  0.09590402  0.01787932  1.0
  Ni  Ni19  1  0.25000000  0.90409598  0.98212068  1.0
  P  P20  1  0.25000000  0.94508630  0.62329820  1.0
  P  P21  1  0.75000000  0.05491370  0.37670180  1.0
  P  P22  1  0.75000000  0.44508630  0.87670180  1.0
  P  P23  1  0.25000000  0.55491370  0.12329820  1.0
  P  P24  1  0.25000000  0.39428353  0.40031684  1.0
  P  P25  1  0.75000000  0.60571647  0.59968316  1.0
  P  P26  1  0.75000000  0.89428353  0.09968316  1.0
  P  P27  1  0.25000000  0.10571647  0.90031684  1.0
  P  P28  1  0.25000000  0.76683759  0.35507627  1.0
  P  P29  1  0.75000000  0.23316241  0.64492373  1.0
  P  P30  1  0.75000000  0.26683759  0.14492373  1.0
  P  P31  1  0.25000000  0.73316241  0.85507627  1.0