# generated using pymatgen
data_Ca2NiB4Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75623354
_cell_length_b   5.89126313
_cell_length_c   5.36981310
_cell_angle_alpha   73.57030879
_cell_angle_beta   56.75872011
_cell_angle_gamma   51.84813343
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NiB4Ru3
_chemical_formula_sum   'Ca2 Ni1 B4 Ru3'
_cell_volume   140.06599100
_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  0.00520794  0.00520794  0.99479206  1.0
  Ca  Ca1  1  0.24604665  0.24604665  0.25395335  1.0
  Ni  Ni2  1  0.61959846  0.61959846  0.88040154  1.0
  B  B3  1  0.67483464  0.32385130  0.68157802  1.0
  B  B4  1  0.32385130  0.67483464  0.31973604  1.0
  B  B5  1  0.93770618  0.56273502  0.92724880  1.0
  B  B6  1  0.56273502  0.93770618  0.57231100  1.0
  Ru  Ru7  1  0.63428259  0.63428259  0.36571641  1.0
  Ru  Ru8  1  0.36589106  0.36589206  0.63410794  1.0
  Ru  Ru9  1  0.87984617  0.87984517  0.62015383  1.0