# generated using pymatgen
data_CaNiB4Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46542375
_cell_length_b   7.27101176
_cell_length_c   4.00853215
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.62244638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiB4Os3
_chemical_formula_sum   'Ca2 Ni2 B8 Os6'
_cell_volume   217.35999522
_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  0.97141106  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.39550916  1.0
  Ni  Ni2  1  0.13032538  0.61800851  0.12091942  1.0
  Ni  Ni3  1  0.86967462  0.38199149  0.12091942  1.0
  B  B4  1  0.79552285  0.67236109  0.12034864  1.0
  B  B5  1  0.20447715  0.32763891  0.12034864  1.0
  B  B6  1  0.84271010  0.31804322  0.61713480  1.0
  B  B7  1  0.15728990  0.68195678  0.61713480  1.0
  B  B8  1  0.71226474  0.83466409  0.39833503  1.0
  B  B9  1  0.28773526  0.16533591  0.39833503  1.0
  B  B10  1  0.67553593  0.21226293  0.89490127  1.0
  B  B11  1  0.32446407  0.78773707  0.89490127  1.0
  Os  Os12  1  0.39148950  0.14763054  0.89516986  1.0
  Os  Os13  1  0.60851050  0.85236946  0.89516986  1.0
  Os  Os14  1  0.34803242  0.88248256  0.39368436  1.0
  Os  Os15  1  0.65196758  0.11751744  0.39368436  1.0
  Os  Os16  1  0.12445221  0.37208884  0.62604550  1.0
  Os  Os17  1  0.87554779  0.62791116  0.62604550  1.0