# generated using pymatgen
data_Ca2Si7Ni12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19580473
_cell_length_b   9.19580377
_cell_length_c   3.62076186
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Si7Ni12
_chemical_formula_sum   'Ca2 Si7 Ni12'
_cell_volume   265.16120464
_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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.50000000  1.0
  Si  Si2  1  0.61371118  0.55146340  0.00000000  1.0
  Si  Si3  1  0.93775222  0.38628882  0.00000000  1.0
  Si  Si4  1  0.44853660  0.06224778  0.00000000  1.0
  Si  Si5  1  0.73438132  0.96355681  0.50000000  1.0
  Si  Si6  1  0.22917549  0.26561868  0.50000000  1.0
  Si  Si7  1  0.03644319  0.77082451  0.50000000  1.0
  Si  Si8  1  0.33333300  0.66666700  0.00000000  1.0
  Ni  Ni9  1  0.38791542  0.28074394  0.00000000  1.0
  Ni  Ni10  1  0.89282752  0.61208458  0.00000000  1.0
  Ni  Ni11  1  0.71925606  0.10717248  0.00000000  1.0
  Ni  Ni12  1  0.60971740  0.79430172  0.00000000  1.0
  Ni  Ni13  1  0.18458432  0.39028260  0.00000000  1.0
  Ni  Ni14  1  0.20569828  0.81541568  0.00000000  1.0
  Ni  Ni15  1  0.75965967  0.71779768  0.50000000  1.0
  Ni  Ni16  1  0.95813901  0.24034033  0.50000000  1.0
  Ni  Ni17  1  0.28220232  0.04186099  0.50000000  1.0
  Ni  Ni18  1  0.42708682  0.55031331  0.50000000  1.0
  Ni  Ni19  1  0.12322649  0.57291318  0.50000000  1.0
  Ni  Ni20  1  0.44968669  0.87677351  0.50000000  1.0