# generated using pymatgen
data_LiHoP3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95133699
_cell_length_b   10.62406624
_cell_length_c   12.71288687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHoP3Ir4
_chemical_formula_sum   'Li4 Ho4 P12 Ir16'
_cell_volume   533.67765852
_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
  Li  Li0  1  0.25000000  0.71297705  0.99653161  1.0
  Li  Li1  1  0.25000000  0.78702295  0.49653161  1.0
  Li  Li2  1  0.75000000  0.28702295  0.00346839  1.0
  Li  Li3  1  0.75000000  0.21297705  0.50346839  1.0
  Ho  Ho4  1  0.25000000  0.57774709  0.70540708  1.0
  Ho  Ho5  1  0.25000000  0.92225291  0.20540708  1.0
  Ho  Ho6  1  0.75000000  0.42225291  0.29459292  1.0
  Ho  Ho7  1  0.75000000  0.07774709  0.79459292  1.0
  P  P8  1  0.25000000  0.42344681  0.11450588  1.0
  P  P9  1  0.25000000  0.07655319  0.61450588  1.0
  P  P10  1  0.75000000  0.57655319  0.88549412  1.0
  P  P11  1  0.75000000  0.92344681  0.38549412  1.0
  P  P12  1  0.25000000  0.26372069  0.85678788  1.0
  P  P13  1  0.25000000  0.23627931  0.35678788  1.0
  P  P14  1  0.75000000  0.73627931  0.14321212  1.0
  P  P15  1  0.75000000  0.76372069  0.64321212  1.0
  P  P16  1  0.25000000  0.60244057  0.38724613  1.0
  P  P17  1  0.25000000  0.89755943  0.88724613  1.0
  P  P18  1  0.75000000  0.39755943  0.61275387  1.0
  P  P19  1  0.75000000  0.10244057  0.11275387  1.0
  Ir  Ir20  1  0.25000000  0.40708347  0.46705323  1.0
  Ir  Ir21  1  0.25000000  0.09291653  0.96705323  1.0
  Ir  Ir22  1  0.75000000  0.59291653  0.53294677  1.0
  Ir  Ir23  1  0.75000000  0.90708347  0.03294677  1.0
  Ir  Ir24  1  0.25000000  0.22249829  0.17015789  1.0
  Ir  Ir25  1  0.25000000  0.27750171  0.67015789  1.0
  Ir  Ir26  1  0.75000000  0.77750171  0.82984211  1.0
  Ir  Ir27  1  0.75000000  0.72249829  0.32984211  1.0
  Ir  Ir28  1  0.25000000  0.88018465  0.70135768  1.0
  Ir  Ir29  1  0.25000000  0.61981535  0.20135768  1.0
  Ir  Ir30  1  0.75000000  0.11981535  0.29864232  1.0
  Ir  Ir31  1  0.75000000  0.38018465  0.79864232  1.0
  Ir  Ir32  1  0.25000000  0.46388275  0.93206263  1.0
  Ir  Ir33  1  0.25000000  0.03611725  0.43206263  1.0
  Ir  Ir34  1  0.75000000  0.53611725  0.06793737  1.0
  Ir  Ir35  1  0.75000000  0.96388275  0.56793737  1.0