# generated using pymatgen
data_Sc4Ni5P6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67473686
_cell_length_b   10.05468308
_cell_length_c   12.24959078
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Ni5P6Ir
_chemical_formula_sum   'Sc8 Ni10 P12 Ir2'
_cell_volume   452.60173312
_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
  Sc  Sc0  1  0.25000000  0.34101835  0.99736041  1.0
  Sc  Sc1  1  0.25000000  0.15898165  0.49736041  1.0
  Sc  Sc2  1  0.75000000  0.65666486  0.00278458  1.0
  Sc  Sc3  1  0.75000000  0.84333514  0.50278458  1.0
  Sc  Sc4  1  0.25000000  0.42586538  0.71343496  1.0
  Sc  Sc5  1  0.25000000  0.07413462  0.21343496  1.0
  Sc  Sc6  1  0.75000000  0.56944476  0.28561157  1.0
  Sc  Sc7  1  0.75000000  0.93055524  0.78561157  1.0
  Ni  Ni8  1  0.75000000  0.09760369  0.02198532  1.0
  Ni  Ni9  1  0.75000000  0.40239631  0.52198532  1.0
  Ni  Ni10  1  0.25000000  0.13509389  0.71670493  1.0
  Ni  Ni11  1  0.25000000  0.36490611  0.21670493  1.0
  Ni  Ni12  1  0.75000000  0.86843801  0.28229549  1.0
  Ni  Ni13  1  0.75000000  0.63156199  0.78229549  1.0
  Ni  Ni14  1  0.25000000  0.76841302  0.16891587  1.0
  Ni  Ni15  1  0.25000000  0.73158698  0.66891587  1.0
  Ni  Ni16  1  0.75000000  0.22388924  0.83498249  1.0
  Ni  Ni17  1  0.75000000  0.27611076  0.33498249  1.0
  P  P18  1  0.25000000  0.10740812  0.89428399  1.0
  P  P19  1  0.25000000  0.39259188  0.39428399  1.0
  P  P20  1  0.75000000  0.89805077  0.10474815  1.0
  P  P21  1  0.75000000  0.60194923  0.60474815  1.0
  P  P22  1  0.25000000  0.73399095  0.84925166  1.0
  P  P23  1  0.25000000  0.76600905  0.34925166  1.0
  P  P24  1  0.75000000  0.26368062  0.14654020  1.0
  P  P25  1  0.75000000  0.23631938  0.64654020  1.0
  P  P26  1  0.25000000  0.55427876  0.12628598  1.0
  P  P27  1  0.25000000  0.94572124  0.62628598  1.0
  P  P28  1  0.75000000  0.44209808  0.87365886  1.0
  P  P29  1  0.75000000  0.05790192  0.37365886  1.0
  Ir  Ir30  1  0.25000000  0.90303958  0.98115553  1.0
  Ir  Ir31  1  0.25000000  0.59696042  0.48115553  1.0