# generated using pymatgen
data_CaEr3(B6Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62568274
_cell_length_b   9.10312346
_cell_length_c   11.49529461
_cell_angle_alpha   89.80544087
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr3(B6Ru)2
_chemical_formula_sum   'Ca2 Er6 B24 Ru4'
_cell_volume   379.40044297
_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  0.32385758  0.41520008  1.0
  Ca  Ca1  1  0.00000000  0.67614242  0.58479992  1.0
  Er  Er2  1  0.00000000  0.82256931  0.08571032  1.0
  Er  Er3  1  0.00000000  0.17743069  0.91428968  1.0
  Er  Er4  1  0.00000000  0.94181213  0.36942893  1.0
  Er  Er5  1  0.00000000  0.05818787  0.63057107  1.0
  Er  Er6  1  0.00000000  0.44242335  0.13088381  1.0
  Er  Er7  1  0.00000000  0.55757665  0.86911619  1.0
  B  B8  1  0.50000000  0.55464084  0.43143720  1.0
  B  B9  1  0.50000000  0.44535916  0.56856280  1.0
  B  B10  1  0.50000000  0.05378492  0.06623632  1.0
  B  B11  1  0.50000000  0.94621508  0.93376368  1.0
  B  B12  1  0.50000000  0.74818610  0.41654137  1.0
  B  B13  1  0.50000000  0.25181390  0.58345863  1.0
  B  B14  1  0.50000000  0.24805799  0.08079159  1.0
  B  B15  1  0.50000000  0.75194201  0.91920841  1.0
  B  B16  1  0.50000000  0.79143540  0.26348631  1.0
  B  B17  1  0.50000000  0.20856460  0.73651369  1.0
  B  B18  1  0.50000000  0.28937367  0.23356799  1.0
  B  B19  1  0.50000000  0.71062633  0.76643201  1.0
  B  B20  1  0.50000000  0.63145264  0.18441901  1.0
  B  B21  1  0.50000000  0.36854736  0.81558099  1.0
  B  B22  1  0.50000000  0.13004815  0.31316505  1.0
  B  B23  1  0.50000000  0.86995185  0.68683495  1.0
  B  B24  1  0.50000000  0.98281173  0.21094250  1.0
  B  B25  1  0.50000000  0.01718827  0.78905750  1.0
  B  B26  1  0.50000000  0.48436584  0.28730544  1.0
  B  B27  1  0.50000000  0.51563416  0.71269456  1.0
  B  B28  1  0.50000000  0.60332141  0.02832377  1.0
  B  B29  1  0.50000000  0.39667859  0.97167623  1.0
  B  B30  1  0.50000000  0.09865142  0.47268018  1.0
  B  B31  1  0.50000000  0.90134858  0.52731982  1.0
  Ru  Ru32  1  0.00000000  0.64072808  0.31704403  1.0
  Ru  Ru33  1  0.00000000  0.35927192  0.68295597  1.0
  Ru  Ru34  1  0.00000000  0.13640521  0.17719896  1.0
  Ru  Ru35  1  0.00000000  0.86359479  0.82280104  1.0