# generated using pymatgen
data_CaCo3B4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18599203
_cell_length_b   6.99867795
_cell_length_c   3.84079351
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.46285402
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo3B4Os
_chemical_formula_sum   'Ca2 Co6 B8 Os2'
_cell_volume   193.09993794
_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  0.93535287  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.41319916  1.0
  Co  Co2  1  0.34409697  0.88526664  0.39944191  1.0
  Co  Co3  1  0.65590303  0.11473336  0.39944191  1.0
  Co  Co4  1  0.11529401  0.37765758  0.62199216  1.0
  Co  Co5  1  0.88470599  0.62234242  0.62199216  1.0
  Co  Co6  1  0.12312101  0.62277053  0.12073357  1.0
  Co  Co7  1  0.87687899  0.37722947  0.12073357  1.0
  B  B8  1  0.81869491  0.65929493  0.11774511  1.0
  B  B9  1  0.18130509  0.34070507  0.11774511  1.0
  B  B10  1  0.83351175  0.31353363  0.61676099  1.0
  B  B11  1  0.16648825  0.68646637  0.61676099  1.0
  B  B12  1  0.72561923  0.82726417  0.40172175  1.0
  B  B13  1  0.27438077  0.17273583  0.40172175  1.0
  B  B14  1  0.66833843  0.20348740  0.90124283  1.0
  B  B15  1  0.33166157  0.79651260  0.90124283  1.0
  Os  Os16  1  0.38180916  0.14387728  0.89608565  1.0
  Os  Os17  1  0.61819084  0.85612272  0.89608565  1.0