# generated using pymatgen
data_Ca(Ni2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97684018
_cell_length_b   5.97684018
_cell_length_c   5.97684125
_cell_angle_alpha   104.45538378
_cell_angle_beta   104.45538378
_cell_angle_gamma   104.45539686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Ni2B)6
_chemical_formula_sum   'Ca1 Ni12 B6'
_cell_volume   188.80114144
_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
  Ni  Ni1  1  0.50000000  0.86905790  0.13094210  1.0
  Ni  Ni2  1  0.45625468  0.45625468  0.18703868  1.0
  Ni  Ni3  1  0.18703868  0.45625468  0.45625468  1.0
  Ni  Ni4  1  0.54374532  0.81296132  0.54374532  1.0
  Ni  Ni5  1  0.81296132  0.54374532  0.54374532  1.0
  Ni  Ni6  1  0.54374532  0.54374532  0.81296132  1.0
  Ni  Ni7  1  0.13094210  0.50000000  0.86905790  1.0
  Ni  Ni8  1  0.86905790  0.13094210  0.50000000  1.0
  Ni  Ni9  1  0.50000000  0.13094210  0.86905790  1.0
  Ni  Ni10  1  0.86905790  0.50000000  0.13094210  1.0
  Ni  Ni11  1  0.13094210  0.86905790  0.50000000  1.0
  Ni  Ni12  1  0.45625468  0.18703868  0.45625468  1.0
  B  B13  1  0.76483098  0.76483098  0.33435114  1.0
  B  B14  1  0.33435114  0.76483098  0.76483098  1.0
  B  B15  1  0.76483098  0.33435114  0.76483098  1.0
  B  B16  1  0.66564886  0.23516902  0.23516902  1.0
  B  B17  1  0.23516902  0.23516902  0.66564886  1.0
  B  B18  1  0.23516902  0.66564886  0.23516902  1.0