# generated using pymatgen
data_Ca3Si(Ni3B)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50091252
_cell_length_b   7.50091197
_cell_length_c   7.50091169
_cell_angle_alpha   40.51413005
_cell_angle_beta   40.51413643
_cell_angle_gamma   40.51413050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Si(Ni3B)2
_chemical_formula_sum   'Ca3 Si1 Ni6 B2'
_cell_volume   160.63905859
_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  0.64472013  0.64472013  0.64472013  1.0
  Ca  Ca1  1  0.35527987  0.35527987  0.35527987  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.50000000  1.0
  Si  Si3  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni4  1  0.57364741  0.06132446  0.06132446  1.0
  Ni  Ni5  1  0.06132446  0.06132446  0.57364741  1.0
  Ni  Ni6  1  0.06132446  0.57364741  0.06132446  1.0
  Ni  Ni7  1  0.93867554  0.42635259  0.93867554  1.0
  Ni  Ni8  1  0.93867554  0.93867554  0.42635259  1.0
  Ni  Ni9  1  0.42635259  0.93867554  0.93867554  1.0
  B  B10  1  0.82930576  0.82930576  0.82930576  1.0
  B  B11  1  0.17069424  0.17069424  0.17069424  1.0