# generated using pymatgen
data_Ca3(InNi2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92645255
_cell_length_b   8.92645178
_cell_length_c   7.46588931
_cell_angle_alpha   89.99996811
_cell_angle_beta   90.00002193
_cell_angle_gamma   119.99684101
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(InNi2)4
_chemical_formula_sum   'Ca6 In8 Ni16'
_cell_volume   515.20938538
_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  0.47057758  0.52942212  0.23349995  1.0
  Ca  Ca1  1  0.94115684  0.47057900  0.73349532  1.0
  Ca  Ca2  1  0.52942061  0.05884260  0.73349548  1.0
  Ca  Ca3  1  0.47057861  0.94115563  0.23350004  1.0
  Ca  Ca4  1  0.05884419  0.52942099  0.23350038  1.0
  Ca  Ca5  1  0.52942027  0.47057856  0.73349395  1.0
  In  In6  1  0.33333257  0.66666796  0.57460208  1.0
  In  In7  1  0.66666680  0.33333305  0.07461128  1.0
  In  In8  1  0.83079695  0.66159386  0.43019307  1.0
  In  In9  1  0.16921256  0.83078754  0.93020310  1.0
  In  In10  1  0.66157464  0.83078715  0.93020502  1.0
  In  In11  1  0.33840618  0.16920263  0.43019284  1.0
  In  In12  1  0.83079616  0.16920336  0.43019099  1.0
  In  In13  1  0.16921294  0.33842533  0.93020506  1.0
  Ni  Ni14  1  0.99999957  0.00000125  0.00160177  1.0
  Ni  Ni15  1  0.00000093  0.99999831  0.50153922  1.0
  Ni  Ni16  1  0.66666362  0.33333613  0.42659034  1.0
  Ni  Ni17  1  0.33333607  0.66666414  0.92659930  1.0
  Ni  Ni18  1  0.09687056  0.19374465  0.24954225  1.0
  Ni  Ni19  1  0.90312000  0.09687991  0.74950553  1.0
  Ni  Ni20  1  0.19375937  0.09687724  0.74950306  1.0
  Ni  Ni21  1  0.80625530  0.90312950  0.24954223  1.0
  Ni  Ni22  1  0.09687379  0.90312704  0.24954529  1.0
  Ni  Ni23  1  0.90312271  0.80624092  0.74950243  1.0
  Ni  Ni24  1  0.15898112  0.31796985  0.56175463  1.0
  Ni  Ni25  1  0.84101068  0.15898969  0.06179078  1.0
  Ni  Ni26  1  0.31797233  0.15898187  0.06179032  1.0
  Ni  Ni27  1  0.68203022  0.84101895  0.56175465  1.0
  Ni  Ni28  1  0.15898809  0.84101237  0.56175492  1.0
  Ni  Ni29  1  0.84101874  0.68202838  0.06179074  1.0