# generated using pymatgen
data_Ca3InAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57337271
_cell_length_b   8.97343671
_cell_length_c   16.72065060
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3InAu3
_chemical_formula_sum   'Ca12 In4 Au12'
_cell_volume   686.19661573
_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
  Ca  Ca0  1  0.75000000  0.02524382  0.84382489  1.0
  Ca  Ca1  1  0.75000000  0.47475618  0.34382489  1.0
  Ca  Ca2  1  0.25000000  0.97475618  0.15617511  1.0
  Ca  Ca3  1  0.75000000  0.24945474  0.55605594  1.0
  Ca  Ca4  1  0.25000000  0.74945474  0.94394406  1.0
  Ca  Ca5  1  0.75000000  0.25054526  0.05605594  1.0
  Ca  Ca6  1  0.25000000  0.12980866  0.36626143  1.0
  Ca  Ca7  1  0.25000000  0.75054526  0.44394406  1.0
  Ca  Ca8  1  0.75000000  0.87019134  0.63373857  1.0
  Ca  Ca9  1  0.75000000  0.62980866  0.13373857  1.0
  Ca  Ca10  1  0.25000000  0.37019134  0.86626143  1.0
  Ca  Ca11  1  0.25000000  0.52524382  0.65617511  1.0
  In  In12  1  0.75000000  0.63580717  0.79270527  1.0
  In  In13  1  0.25000000  0.36419283  0.20729473  1.0
  In  In14  1  0.25000000  0.13580717  0.70729473  1.0
  In  In15  1  0.75000000  0.86419283  0.29270527  1.0
  Au  Au16  1  0.75000000  0.17383130  0.23830185  1.0
  Au  Au17  1  0.25000000  0.46715589  0.04772749  1.0
  Au  Au18  1  0.75000000  0.32616870  0.73830185  1.0
  Au  Au19  1  0.25000000  0.08504641  0.97029277  1.0
  Au  Au20  1  0.25000000  0.03284411  0.54772749  1.0
  Au  Au21  1  0.25000000  0.82616870  0.76169815  1.0
  Au  Au22  1  0.75000000  0.53284411  0.95227251  1.0
  Au  Au23  1  0.75000000  0.58504641  0.52970723  1.0
  Au  Au24  1  0.75000000  0.96715589  0.45227251  1.0
  Au  Au25  1  0.25000000  0.67383130  0.26169815  1.0
  Au  Au26  1  0.25000000  0.41495359  0.47029277  1.0
  Au  Au27  1  0.75000000  0.91495359  0.02970723  1.0