# generated using pymatgen
data_Ca2SiNi7B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08471908
_cell_length_b   5.08471861
_cell_length_c   6.59666533
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999661
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SiNi7B2
_chemical_formula_sum   'Ca2 Si1 Ni7 B2'
_cell_volume   147.70288772
_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  0.00000000  0.00000000  0.50000000  1.0
  Si  Si2  1  0.66666700  0.33333300  0.50000000  1.0
  Ni  Ni3  1  0.33333300  0.66666700  0.50000000  1.0
  Ni  Ni4  1  0.50159259  0.49840741  0.79234258  1.0
  Ni  Ni5  1  0.50159259  0.00318517  0.79234258  1.0
  Ni  Ni6  1  0.99681483  0.49840741  0.79234258  1.0
  Ni  Ni7  1  0.50159259  0.49840741  0.20765742  1.0
  Ni  Ni8  1  0.50159259  0.00318517  0.20765742  1.0
  Ni  Ni9  1  0.99681483  0.49840741  0.20765742  1.0
  B  B10  1  0.66666700  0.33333300  0.00000000  1.0
  B  B11  1  0.33333300  0.66666700  0.00000000  1.0