# generated using pymatgen
data_CaIn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67757511
_cell_length_b   5.67757511
_cell_length_c   7.54785788
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   135.31277650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIn2Ni
_chemical_formula_sum   'Ca2 In4 Ni2'
_cell_volume   171.10027132
_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  0.55987167  0.44012833  0.25000000  1.0
  Ca  Ca1  1  0.44012833  0.55987167  0.75000000  1.0
  In  In2  1  0.84866422  0.15133578  0.44709191  1.0
  In  In3  1  0.15133578  0.84866422  0.55290809  1.0
  In  In4  1  0.84866422  0.15133578  0.05290809  1.0
  In  In5  1  0.15133578  0.84866422  0.94709191  1.0
  Ni  Ni6  1  0.28155796  0.71844204  0.25000000  1.0
  Ni  Ni7  1  0.71844204  0.28155796  0.75000000  1.0