# generated using pymatgen
data_Ca2Ni3B8Os5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31820262
_cell_length_b   7.25285667
_cell_length_c   3.98835907
_cell_angle_alpha   90.09217510
_cell_angle_beta   90.13155217
_cell_angle_gamma   91.03119243
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ni3B8Os5
_chemical_formula_sum   'Ca2 Ni3 B8 Os5'
_cell_volume   211.65849222
_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  0.99945309  0.99845784  0.93053837  1.0
  Ca  Ca1  1  0.50468565  0.50051407  0.39902996  1.0
  Ni  Ni2  1  0.87463797  0.63284474  0.62373628  1.0
  Ni  Ni3  1  0.11604274  0.62781393  0.12234171  1.0
  Ni  Ni4  1  0.86663634  0.38693682  0.12553428  1.0
  B  B5  1  0.80841513  0.66395822  0.11583147  1.0
  B  B6  1  0.19536852  0.33205900  0.12485289  1.0
  B  B7  1  0.84430758  0.30516757  0.61839055  1.0
  B  B8  1  0.16527376  0.67816205  0.61771019  1.0
  B  B9  1  0.71868983  0.83036597  0.40020373  1.0
  B  B10  1  0.28310857  0.16863087  0.40079617  1.0
  B  B11  1  0.67078871  0.22204892  0.89851052  1.0
  B  B12  1  0.32518751  0.78461846  0.90088148  1.0
  Os  Os13  1  0.39041311  0.14858644  0.89878140  1.0
  Os  Os14  1  0.61451801  0.84458189  0.89764568  1.0
  Os  Os15  1  0.34661357  0.88168444  0.39830729  1.0
  Os  Os16  1  0.65581838  0.11351615  0.39683901  1.0
  Os  Os17  1  0.12004054  0.38005459  0.63006901  1.0