# generated using pymatgen
data_Ca12Ag3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70826674
_cell_length_b   8.03819020
_cell_length_c   9.77824051
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.04658331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca12Ag3Ir
_chemical_formula_sum   'Ca12 Ag3 Ir1'
_cell_volume   527.17749199
_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  0.34706357  0.67584839  0.05040663  1.0
  Ca  Ca1  1  0.15046919  0.17193151  0.44339522  1.0
  Ca  Ca2  1  0.65474095  0.34631091  0.57187969  1.0
  Ca  Ca3  1  0.83236781  0.80818544  0.93006415  1.0
  Ca  Ca4  1  0.65474095  0.34631091  0.92812031  1.0
  Ca  Ca5  1  0.83236781  0.80818544  0.56993585  1.0
  Ca  Ca6  1  0.34706357  0.67584839  0.44959337  1.0
  Ca  Ca7  1  0.15046919  0.17193151  0.05660478  1.0
  Ca  Ca8  1  0.87578442  0.52797441  0.25000000  1.0
  Ca  Ca9  1  0.63251491  0.03770858  0.25000000  1.0
  Ca  Ca10  1  0.15432435  0.47002066  0.75000000  1.0
  Ca  Ca11  1  0.37997727  0.95218254  0.75000000  1.0
  Ag  Ag12  1  0.05815478  0.87651877  0.25000000  1.0
  Ag  Ag13  1  0.43782887  0.38334013  0.25000000  1.0
  Ag  Ag14  1  0.94976486  0.11948648  0.75000000  1.0
  Ir  Ir15  1  0.54236548  0.62821592  0.75000000  1.0