# generated using pymatgen
data_Zr6BAs5Ru6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62933838
_cell_length_b   7.62670573
_cell_length_c   7.62933907
_cell_angle_alpha   127.69006165
_cell_angle_beta   121.90713315
_cell_angle_gamma   81.96540065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6BAs5Ru6
_chemical_formula_sum   'Zr6 B1 As5 Ru6'
_cell_volume   286.88791863
_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
  Zr  Zr0  1  0.45296621  0.66207758  0.70911137  1.0
  Zr  Zr1  1  0.55476720  0.25865412  0.20388692  1.0
  Zr  Zr2  1  0.75000642  0.83405225  0.58404583  1.0
  Zr  Zr3  1  0.25015558  0.85627563  0.10611905  1.0
  Zr  Zr4  1  0.04708801  0.25626721  0.70917919  1.0
  Zr  Zr5  1  0.94488593  0.64872811  0.20384218  1.0
  B  B6  1  0.25048580  0.25497909  0.50449429  1.0
  As  As7  1  0.74954474  0.22857538  0.97903163  1.0
  As  As8  1  0.33197730  0.58915848  0.25501644  1.0
  As  As9  1  0.66595245  0.92311895  0.25512974  1.0
  As  As10  1  0.16798822  0.92311895  0.75716650  1.0
  As  As11  1  0.83414305  0.58915848  0.75718119  1.0
  Ru  Ru12  1  0.46535695  0.49220576  0.95736370  1.0
  Ru  Ru13  1  0.03484306  0.49220576  0.52684982  1.0
  Ru  Ru14  1  0.15174895  0.25773930  0.16935572  1.0
  Ru  Ru15  1  0.91327800  0.01777181  0.17134126  1.0
  Ru  Ru16  1  0.34643055  0.01777181  0.60449382  1.0
  Ru  Ru17  1  0.58838358  0.25773930  0.60599035  1.0