# generated using pymatgen
data_Ca3Si2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91328933
_cell_length_b   9.24110456
_cell_length_c   18.04697210
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Si2Ni3
_chemical_formula_sum   'Ca12 Si8 Ni12'
_cell_volume   652.63474319
_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  0.39248098  0.92961280  1.0
  Ca  Ca1  1  0.25000000  0.60751902  0.07038720  1.0
  Ca  Ca2  1  0.75000000  0.89248098  0.57038720  1.0
  Ca  Ca3  1  0.25000000  0.10751902  0.42961280  1.0
  Ca  Ca4  1  0.75000000  0.35682151  0.56844410  1.0
  Ca  Ca5  1  0.25000000  0.64317849  0.43155590  1.0
  Ca  Ca6  1  0.75000000  0.85682151  0.93155590  1.0
  Ca  Ca7  1  0.25000000  0.14317849  0.06844410  1.0
  Ca  Ca8  1  0.75000000  0.37534858  0.31697152  1.0
  Ca  Ca9  1  0.25000000  0.62465142  0.68302848  1.0
  Ca  Ca10  1  0.75000000  0.87534858  0.18302848  1.0
  Ca  Ca11  1  0.25000000  0.12465142  0.81697152  1.0
  Si  Si12  1  0.75000000  0.37552372  0.74956728  1.0
  Si  Si13  1  0.25000000  0.62447628  0.25043272  1.0
  Si  Si14  1  0.75000000  0.87552372  0.75043272  1.0
  Si  Si15  1  0.25000000  0.12447628  0.24956728  1.0
  Si  Si16  1  0.75000000  0.87504609  0.39081050  1.0
  Si  Si17  1  0.25000000  0.12495391  0.60918950  1.0
  Si  Si18  1  0.75000000  0.37504609  0.10918950  1.0
  Si  Si19  1  0.25000000  0.62495391  0.89081050  1.0
  Ni  Ni20  1  0.75000000  0.05593924  0.30735508  1.0
  Ni  Ni21  1  0.25000000  0.94406076  0.69264492  1.0
  Ni  Ni22  1  0.75000000  0.55593924  0.19264492  1.0
  Ni  Ni23  1  0.25000000  0.44406076  0.80735508  1.0
  Ni  Ni24  1  0.75000000  0.19361278  0.19230287  1.0
  Ni  Ni25  1  0.25000000  0.80638722  0.80769713  1.0
  Ni  Ni26  1  0.75000000  0.69361278  0.30769713  1.0
  Ni  Ni27  1  0.25000000  0.30638722  0.69230287  1.0
  Ni  Ni28  1  0.75000000  0.62548907  0.81425090  1.0
  Ni  Ni29  1  0.25000000  0.37451093  0.18574910  1.0
  Ni  Ni30  1  0.75000000  0.12548907  0.68574910  1.0
  Ni  Ni31  1  0.25000000  0.87451093  0.31425090  1.0