# generated using pymatgen
data_Ca2Al4Si2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11897291
_cell_length_b   4.11896984
_cell_length_c   10.28272554
_cell_angle_alpha   101.55596364
_cell_angle_beta   101.55583728
_cell_angle_gamma   89.94835147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Al4Si2Ni
_chemical_formula_sum   'Ca2 Al4 Si2 Ni1'
_cell_volume   167.31519175
_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  0.18757946  0.18758046  0.37499163  1.0
  Ca  Ca1  1  0.81242254  0.81242154  0.62500937  1.0
  Al  Al2  1  0.56654060  0.06661267  0.13297979  1.0
  Al  Al3  1  0.06661267  0.56654160  0.13297979  1.0
  Al  Al4  1  0.93338833  0.43345940  0.86702021  1.0
  Al  Al5  1  0.43345940  0.93338833  0.86702021  1.0
  Si  Si6  1  0.65108760  0.65108860  0.30209945  1.0
  Si  Si7  1  0.34891340  0.34891240  0.69790155  1.0
  Ni  Ni8  1  0.00000100  0.00000100  0.00000000  1.0