# generated using pymatgen
data_Zr3Sc4MoRu8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42960966
_cell_length_b   4.52808298
_cell_length_c   9.05766833
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00058331
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc4MoRu8
_chemical_formula_sum   'Zr3 Sc4 Mo1 Ru8'
_cell_volume   263.70319901
_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  0.24995270  0.75000000  0.37447162  1.0
  Zr  Zr1  1  0.75008265  0.25000000  0.62500065  1.0
  Zr  Zr2  1  0.25004221  0.75000000  0.87552602  1.0
  Sc  Sc3  1  0.24994732  0.25000000  0.12500240  1.0
  Sc  Sc4  1  0.74993886  0.75000000  0.37358259  1.0
  Sc  Sc5  1  0.25005902  0.25000000  0.62499344  1.0
  Sc  Sc6  1  0.75003979  0.75000000  0.87642704  1.0
  Mo  Mo7  1  0.74995540  0.25000000  0.12500331  1.0
  Ru  Ru8  1  0.51171310  0.75000000  0.12500123  1.0
  Ru  Ru9  1  0.98822172  0.75000000  0.12500294  1.0
  Ru  Ru10  1  0.50598671  0.25000000  0.36559658  1.0
  Ru  Ru11  1  0.99394504  0.25000000  0.36559697  1.0
  Ru  Ru12  1  0.00046128  0.75000000  0.62499482  1.0
  Ru  Ru13  1  0.49958538  0.75000000  0.62499891  1.0
  Ru  Ru14  1  0.99401155  0.25000000  0.88438957  1.0
  Ru  Ru15  1  0.50605425  0.25000000  0.88441291  1.0