# generated using pymatgen
data_Ca4CuSi6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17622487
_cell_length_b   8.00045636
_cell_length_c   5.90076475
_cell_angle_alpha   70.20460146
_cell_angle_beta   67.02582853
_cell_angle_gamma   42.76956299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4CuSi6Ni
_chemical_formula_sum   'Ca4 Cu1 Si6 Ni1'
_cell_volume   240.47635344
_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  0.74871102  0.74871102  0.75128898  1.0
  Ca  Ca1  1  0.75195809  0.25052817  0.74947183  1.0
  Ca  Ca2  1  0.24871102  0.24871102  0.25128898  1.0
  Ca  Ca3  1  0.25052817  0.75195809  0.24804191  1.0
  Cu  Cu4  1  0.33337585  0.33337585  0.66662415  1.0
  Si  Si5  1  0.82675420  0.34552305  0.17324580  1.0
  Si  Si6  1  0.66501449  0.16778714  0.33498551  1.0
  Si  Si7  1  0.16778714  0.66501449  0.83221286  1.0
  Si  Si8  1  0.34552305  0.82675420  0.65447695  1.0
  Si  Si9  1  0.16732941  0.16732941  0.83267059  1.0
  Si  Si10  1  0.82734778  0.82734778  0.17265222  1.0
  Ni  Ni11  1  0.66696078  0.66696078  0.33303922  1.0