# generated using pymatgen
data_Ce3Zr(ScRu2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59280541
_cell_length_b   4.65720117
_cell_length_c   9.33881221
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99831263
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3Zr(ScRu2)4
_chemical_formula_sum   'Ce3 Zr1 Sc4 Ru8'
_cell_volume   286.73908662
_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
  Ce  Ce0  1  0.74994193  0.25000000  0.12270070  1.0
  Ce  Ce1  1  0.24995915  0.75000000  0.37499642  1.0
  Ce  Ce2  1  0.75006113  0.25000000  0.62731043  1.0
  Zr  Zr3  1  0.25001595  0.75000000  0.87500161  1.0
  Sc  Sc4  1  0.24995052  0.25000000  0.11779726  1.0
  Sc  Sc5  1  0.74996192  0.75000000  0.37502285  1.0
  Sc  Sc6  1  0.25006351  0.25000000  0.63218955  1.0
  Sc  Sc7  1  0.75002387  0.75000000  0.87499053  1.0
  Ru  Ru8  1  0.49828521  0.75000000  0.12111218  1.0
  Ru  Ru9  1  0.00163479  0.75000000  0.12110455  1.0
  Ru  Ru10  1  0.49983423  0.25000000  0.37502192  1.0
  Ru  Ru11  1  0.00011442  0.25000000  0.37502525  1.0
  Ru  Ru12  1  0.00174316  0.75000000  0.62887503  1.0
  Ru  Ru13  1  0.49835425  0.75000000  0.62888684  1.0
  Ru  Ru14  1  0.00391829  0.25000000  0.87497946  1.0
  Ru  Ru15  1  0.49613666  0.25000000  0.87498640  1.0