# generated using pymatgen
data_CaIn4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42391115
_cell_length_b   7.31326069
_cell_length_c   8.62142488
_cell_angle_alpha   90.00000000
_cell_angle_beta   104.86633966
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIn4Ni
_chemical_formula_sum   'Ca2 In8 Ni2'
_cell_volume   269.59415894
_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  0.87534031  0.25000000  0.75067961  1.0
  Ca  Ca1  1  0.12465969  0.75000000  0.24932039  1.0
  In  In2  1  0.31220523  0.54819366  0.62440946  1.0
  In  In3  1  0.07254757  0.25000000  0.14509415  1.0
  In  In4  1  0.68779477  0.04819366  0.37559054  1.0
  In  In5  1  0.50000000  -0.00000000  -0.00000000  1.0
  In  In6  1  0.92745243  0.75000000  0.85490585  1.0
  In  In7  1  0.68779477  0.45180634  0.37559054  1.0
  In  In8  1  0.31220523  0.95180634  0.62440946  1.0
  In  In9  1  0.50000000  0.50000000  -0.00000000  1.0
  Ni  Ni10  1  0.22595521  0.25000000  0.45191042  1.0
  Ni  Ni11  1  0.77404479  0.75000000  0.54808958  1.0