# generated using pymatgen
data_Ca4P7Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95751855
_cell_length_b   12.55886787
_cell_length_c   13.09246942
_cell_angle_alpha   81.07919522
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4P7Ir8
_chemical_formula_sum   'Ca8 P14 Ir16'
_cell_volume   642.84992436
_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
  Ca  Ca0  1  0.75000000  0.78578487  0.56563108  1.0
  Ca  Ca1  1  0.25000000  0.21421513  0.43436892  1.0
  Ca  Ca2  1  0.75000000  0.48553804  0.70874136  1.0
  Ca  Ca3  1  0.25000000  0.51446196  0.29125864  1.0
  Ca  Ca4  1  0.75000000  0.71649989  0.89426427  1.0
  Ca  Ca5  1  0.25000000  0.10340966  0.79234799  1.0
  Ca  Ca6  1  0.75000000  0.89659034  0.20765201  1.0
  Ca  Ca7  1  0.25000000  0.28350011  0.10573573  1.0
  P  P8  1  0.25000000  0.90910506  0.41225749  1.0
  P  P9  1  0.75000000  0.47142342  0.12814214  1.0
  P  P10  1  0.25000000  0.52857658  0.87185786  1.0
  P  P11  1  0.75000000  0.09089494  0.58774251  1.0
  P  P12  1  0.25000000  0.74137477  0.07965565  1.0
  P  P13  1  0.75000000  0.25862523  0.92034435  1.0
  P  P14  1  0.75000000  0.15497987  0.28093729  1.0
  P  P15  1  0.25000000  0.84502013  0.71906271  1.0
  P  P16  1  0.25000000  0.05619237  0.09897867  1.0
  P  P17  1  0.75000000  0.94380763  0.90102133  1.0
  P  P18  1  0.25000000  0.30978928  0.68794340  1.0
  P  P19  1  0.75000000  0.69021072  0.31205660  1.0
  P  P20  1  0.25000000  0.61028921  0.56204703  1.0
  P  P21  1  0.75000000  0.38971079  0.43795297  1.0
  Ir  Ir22  1  0.25000000  0.98580500  0.57500730  1.0
  Ir  Ir23  1  0.75000000  0.01419500  0.42499270  1.0
  Ir  Ir24  1  0.25000000  0.66315869  0.72690805  1.0
  Ir  Ir25  1  0.75000000  0.33684131  0.27309195  1.0
  Ir  Ir26  1  0.25000000  0.55395757  0.04850521  1.0
  Ir  Ir27  1  0.75000000  0.44604243  0.95149479  1.0
  Ir  Ir28  1  0.25000000  0.06143599  0.27354849  1.0
  Ir  Ir29  1  0.75000000  0.93856401  0.72645151  1.0
  Ir  Ir30  1  0.25000000  0.42317296  0.52765704  1.0
  Ir  Ir31  1  0.75000000  0.57682704  0.47234296  1.0
  Ir  Ir32  1  0.25000000  0.91680800  0.99878831  1.0
  Ir  Ir33  1  0.75000000  0.08319200  0.00121169  1.0
  Ir  Ir34  1  0.25000000  0.72903878  0.39565989  1.0
  Ir  Ir35  1  0.75000000  0.27096122  0.60434011  1.0
  Ir  Ir36  1  0.25000000  0.33895097  0.85785999  1.0
  Ir  Ir37  1  0.75000000  0.66104903  0.14214001  1.0