# generated using pymatgen
data_CaSi4(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55464224
_cell_length_b   6.55464224
_cell_length_c   5.29757985
_cell_angle_alpha   77.50187314
_cell_angle_beta   77.50187314
_cell_angle_gamma   84.31803895
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi4(NiO6)2
_chemical_formula_sum   'Ca1 Si4 Ni2 O12'
_cell_volume   216.61734171
_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  0.30195700  0.69804300  0.00000000  1.0
  Si  Si1  1  0.38359000  0.19965800  0.01974800  1.0
  Si  Si2  1  0.80034200  0.61641000  0.98025200  1.0
  Si  Si3  1  0.19974800  0.37944900  0.53092600  1.0
  Si  Si4  1  0.62055100  0.80025200  0.46907400  1.0
  Ni  Ni5  1  0.89774300  0.10225700  0.00000000  1.0
  Ni  Ni6  1  0.08758300  0.91241700  0.50000000  1.0
  O  O7  1  0.35669200  0.33960500  0.25115400  1.0
  O  O8  1  0.66039500  0.64330800  0.74884600  1.0
  O  O9  1  0.62280800  0.66472400  0.23958200  1.0
  O  O10  1  0.33527600  0.37719200  0.76041800  1.0
  O  O11  1  0.61584800  0.09239000  0.95631400  1.0
  O  O12  1  0.90761000  0.38415200  0.04368600  1.0
  O  O13  1  0.38297000  0.89344600  0.56328900  1.0
  O  O14  1  0.10655400  0.61703000  0.43671100  1.0
  O  O15  1  0.03593100  0.18869200  0.62894800  1.0
  O  O16  1  0.81130800  0.96406900  0.37105200  1.0
  O  O17  1  0.20018300  0.03006500  0.10432400  1.0
  O  O18  1  0.96993500  0.79981700  0.89567600  1.0