# generated using pymatgen
data_CaEr3(B6Os)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62401388
_cell_length_b   9.11339887
_cell_length_c   11.50705825
_cell_angle_alpha   89.80555052
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr3(B6Os)2
_chemical_formula_sum   'Ca2 Er6 B24 Os4'
_cell_volume   380.04239078
_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  0.32341189  0.41486664  1.0
  Ca  Ca1  1  0.00000000  0.67658811  0.58513336  1.0
  Er  Er2  1  0.00000000  0.82230281  0.08614635  1.0
  Er  Er3  1  0.00000000  0.17769719  0.91385365  1.0
  Er  Er4  1  0.00000000  0.94225644  0.37037536  1.0
  Er  Er5  1  0.00000000  0.05774356  0.62962464  1.0
  Er  Er6  1  0.00000000  0.44277462  0.13008309  1.0
  Er  Er7  1  0.00000000  0.55722538  0.86991691  1.0
  B  B8  1  0.50000000  0.55424373  0.43168397  1.0
  B  B9  1  0.50000000  0.44575627  0.56831603  1.0
  B  B10  1  0.50000000  0.05357287  0.06607121  1.0
  B  B11  1  0.50000000  0.94642713  0.93392879  1.0
  B  B12  1  0.50000000  0.74828880  0.41692182  1.0
  B  B13  1  0.50000000  0.25171120  0.58307818  1.0
  B  B14  1  0.50000000  0.24817430  0.08060593  1.0
  B  B15  1  0.50000000  0.75182570  0.91939407  1.0
  B  B16  1  0.50000000  0.79156132  0.26395507  1.0
  B  B17  1  0.50000000  0.20843868  0.73604393  1.0
  B  B18  1  0.50000000  0.28963945  0.23332590  1.0
  B  B19  1  0.50000000  0.71036055  0.76667510  1.0
  B  B20  1  0.50000000  0.63144033  0.18462936  1.0
  B  B21  1  0.50000000  0.36855967  0.81537064  1.0
  B  B22  1  0.50000000  0.13022922  0.31318856  1.0
  B  B23  1  0.50000000  0.86977078  0.68681144  1.0
  B  B24  1  0.50000000  0.98248737  0.21134147  1.0
  B  B25  1  0.50000000  0.01751263  0.78865853  1.0
  B  B26  1  0.50000000  0.48392901  0.28709081  1.0
  B  B27  1  0.50000000  0.51607099  0.71290919  1.0
  B  B28  1  0.50000000  0.60349163  0.02846874  1.0
  B  B29  1  0.50000000  0.39650837  0.97153126  1.0
  B  B30  1  0.50000000  0.09915640  0.47248770  1.0
  B  B31  1  0.50000000  0.90084360  0.52751230  1.0
  Os  Os32  1  0.00000000  0.64035572  0.31752512  1.0
  Os  Os33  1  0.00000000  0.35964428  0.68247488  1.0
  Os  Os34  1  0.00000000  0.13597503  0.17679502  1.0
  Os  Os35  1  0.00000000  0.86402497  0.82320498  1.0