# generated using pymatgen
data_CaEr7(B6Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62524475
_cell_length_b   9.08645536
_cell_length_c   11.46520825
_cell_angle_alpha   89.89919923
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr7(B6Ru)4
_chemical_formula_sum   'Ca1 Er7 B24 Ru4'
_cell_volume   377.67053582
_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  0.00000000  0.32269457  0.41393035  1.0
  Er  Er1  1  0.00000000  0.67576166  0.58461383  1.0
  Er  Er2  1  0.00000000  0.82217644  0.08586910  1.0
  Er  Er3  1  0.00000000  0.17848447  0.91498560  1.0
  Er  Er4  1  0.00000000  0.94375480  0.37060387  1.0
  Er  Er5  1  0.00000000  0.05789347  0.62877363  1.0
  Er  Er6  1  0.00000000  0.44312084  0.12922683  1.0
  Er  Er7  1  0.00000000  0.55613531  0.87257350  1.0
  B  B8  1  0.50000000  0.55514561  0.43274971  1.0
  B  B9  1  0.50000000  0.44619621  0.56814987  1.0
  B  B10  1  0.50000000  0.05305727  0.06605093  1.0
  B  B11  1  0.50000000  0.94584668  0.93258545  1.0
  B  B12  1  0.50000000  0.74872019  0.41923364  1.0
  B  B13  1  0.50000000  0.25224594  0.58217680  1.0
  B  B14  1  0.50000000  0.24743928  0.08006226  1.0
  B  B15  1  0.50000000  0.75193476  0.91964779  1.0
  B  B16  1  0.50000000  0.79172368  0.26533130  1.0
  B  B17  1  0.50000000  0.20947105  0.73514197  1.0
  B  B18  1  0.50000000  0.28954308  0.23298431  1.0
  B  B19  1  0.50000000  0.70911398  0.76598662  1.0
  B  B20  1  0.50000000  0.63229678  0.18520758  1.0
  B  B21  1  0.50000000  0.36862613  0.81587760  1.0
  B  B22  1  0.50000000  0.13016779  0.31329028  1.0
  B  B23  1  0.50000000  0.86862320  0.68508962  1.0
  B  B24  1  0.50000000  0.98245384  0.21134148  1.0
  B  B25  1  0.50000000  0.01695039  0.78754840  1.0
  B  B26  1  0.50000000  0.48469401  0.28723078  1.0
  B  B27  1  0.50000000  0.51690677  0.71313242  1.0
  B  B28  1  0.50000000  0.60850348  0.03014795  1.0
  B  B29  1  0.50000000  0.39187027  0.97062558  1.0
  B  B30  1  0.50000000  0.10236361  0.47163657  1.0
  B  B31  1  0.50000000  0.89546444  0.52889839  1.0
  Ru  Ru32  1  0.00000000  0.64058270  0.31995445  1.0
  Ru  Ru33  1  0.00000000  0.36199848  0.68160957  1.0
  Ru  Ru34  1  0.00000000  0.13582545  0.17703558  1.0
  Ru  Ru35  1  0.00000000  0.86221338  0.82069537  1.0