# generated using pymatgen
data_Ca5P12Ir19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.60659582
_cell_length_b   12.60656401
_cell_length_c   3.97562974
_cell_angle_alpha   90.00000320
_cell_angle_beta   90.00000021
_cell_angle_gamma   119.99983315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5P12Ir19
_chemical_formula_sum   'Ca5 P12 Ir19'
_cell_volume   547.18206638
_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
  Ca  Ca0  1  0.00000010  0.18234669  0.50000009  1.0
  Ca  Ca1  1  0.81765788  0.81767063  0.49999994  1.0
  Ca  Ca2  1  0.18235230  0.00000827  0.50000003  1.0
  Ca  Ca3  1  0.66665965  0.33331480  -0.00000002  1.0
  Ca  Ca4  1  0.33333426  0.66666985  0.00000007  1.0
  P  P5  1  0.48408414  0.31093930  0.50000004  1.0
  P  P6  1  0.81951071  0.00000288  0.00000002  1.0
  P  P7  1  0.18048491  0.18048723  -0.00000000  1.0
  P  P8  1  0.00000296  0.81952437  -0.00000000  1.0
  P  P9  1  0.35783876  0.00000218  -0.00000002  1.0
  P  P10  1  0.68905384  0.17313314  0.50000006  1.0
  P  P11  1  0.82685530  0.51590589  0.50000001  1.0
  P  P12  1  0.51591430  0.82686354  0.49999999  1.0
  P  P13  1  0.17315534  0.68905964  0.49999999  1.0
  P  P14  1  0.31094413  0.48408772  0.49999999  1.0
  P  P15  1  -0.00000111  0.35782573  0.00000000  1.0
  P  P16  1  0.64216294  0.64217244  -0.00000005  1.0
  Ir  Ir17  1  0.80237152  0.18072882  -0.00000000  1.0
  Ir  Ir18  1  0.37835881  0.19761596  0.00000002  1.0
  Ir  Ir19  1  0.63838095  0.50763063  0.49999997  1.0
  Ir  Ir20  1  0.86924095  0.36158978  0.50000000  1.0
  Ir  Ir21  1  0.36162025  0.86925216  0.49999996  1.0
  Ir  Ir22  1  0.50763051  0.63839587  0.50000002  1.0
  Ir  Ir23  1  0.13075990  0.49235649  0.49999997  1.0
  Ir  Ir24  1  0.81925412  0.62164159  -0.00000005  1.0
  Ir  Ir25  1  0.62163626  0.81926802  0.00000005  1.0
  Ir  Ir26  1  0.18075490  0.80239022  -0.00000003  1.0
  Ir  Ir27  1  0.19762207  0.37835909  -0.00000002  1.0
  Ir  Ir28  1  0.00000965  0.71358835  0.49999999  1.0
  Ir  Ir29  1  0.28641835  0.28642210  0.50000000  1.0
  Ir  Ir30  1  0.71357249  0.00000472  0.49999997  1.0
  Ir  Ir31  1  0.00000307  0.53801768  -0.00000001  1.0
  Ir  Ir32  1  0.46196429  0.46197007  0.00000001  1.0
  Ir  Ir33  1  0.53802872  -0.00000308  -0.00000003  1.0
  Ir  Ir34  1  -0.00000134  0.00000922  0.00000004  1.0
  Ir  Ir35  1  0.49236411  0.13074800  0.50000000  1.0