# generated using pymatgen
data_CaNi2(B2Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18097290
_cell_length_b   7.18097290
_cell_length_c   3.93522139
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2(B2Ru)2
_chemical_formula_sum   'Ca2 Ni4 B8 Ru4'
_cell_volume   202.92508935
_cell_formula_units_Z   2
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  0.08519589  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.58519589  1.0
  Ni  Ni2  1  0.62334153  0.11874745  0.37723831  1.0
  Ni  Ni3  1  0.37665847  0.88125255  0.37723831  1.0
  Ni  Ni4  1  0.61874745  0.87665847  0.87723831  1.0
  Ni  Ni5  1  0.38125255  0.12334153  0.87723831  1.0
  B  B6  1  0.33776578  0.81348674  0.88228938  1.0
  B  B7  1  0.66223422  0.18651326  0.88228938  1.0
  B  B8  1  0.31348674  0.16223422  0.38228938  1.0
  B  B9  1  0.68651326  0.83776578  0.38228938  1.0
  B  B10  1  0.16842228  0.72205989  0.59752247  1.0
  B  B11  1  0.83157772  0.27794011  0.59752247  1.0
  B  B12  1  0.22205989  0.33157772  0.09752247  1.0
  B  B13  1  0.77794011  0.66842228  0.09752247  1.0
  Ru  Ru14  1  0.84260602  0.38246886  0.10035140  1.0
  Ru  Ru15  1  0.15739398  0.61753114  0.10035140  1.0
  Ru  Ru16  1  0.88246886  0.65739398  0.60035140  1.0
  Ru  Ru17  1  0.11753114  0.34260602  0.60035140  1.0