# generated using pymatgen
data_Ca3Ni7B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62919679
_cell_length_b   7.62919752
_cell_length_c   7.62919669
_cell_angle_alpha   39.09696772
_cell_angle_beta   39.09695376
_cell_angle_gamma   39.09696616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ni7B2
_chemical_formula_sum   'Ca3 Ni7 B2'
_cell_volume   158.84867784
_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  0.64502013  0.64502013  0.64502013  1.0
  Ca  Ca1  1  0.35497987  0.35497987  0.35497987  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  0.06028201  0.57309481  0.06028201  1.0
  Ni  Ni4  1  0.06028201  0.06028201  0.57309481  1.0
  Ni  Ni5  1  0.57309481  0.06028201  0.06028201  1.0
  Ni  Ni6  1  0.42690519  0.93971799  0.93971799  1.0
  Ni  Ni7  1  0.93971799  0.93971799  0.42690519  1.0
  Ni  Ni8  1  0.93971799  0.42690519  0.93971799  1.0
  Ni  Ni9  1  0.00000000  0.00000000  -0.00000000  1.0
  B  B10  1  0.83048755  0.83048755  0.83048755  1.0
  B  B11  1  0.16951245  0.16951245  0.16951245  1.0