# generated using pymatgen
data_Sc4CuIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38541160
_cell_length_b   4.56196005
_cell_length_c   9.13335313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4CuIr2Ru
_chemical_formula_sum   'Sc8 Cu2 Ir4 Ru2'
_cell_volume   266.05450899
_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
  Sc  Sc0  1  0.99766231  0.75000000  0.12243045  1.0
  Sc  Sc1  1  0.50226099  0.75000000  0.12230679  1.0
  Sc  Sc2  1  0.00225999  0.25000000  0.37769321  1.0
  Sc  Sc3  1  0.49766331  0.25000000  0.37756855  1.0
  Sc  Sc4  1  0.49832888  0.75000000  0.62798531  1.0
  Sc  Sc5  1  0.00186903  0.75000000  0.62786216  1.0
  Sc  Sc6  1  0.50186803  0.25000000  0.87213784  1.0
  Sc  Sc7  1  0.99832788  0.25000000  0.87201469  1.0
  Cu  Cu8  1  0.24952397  0.25000000  0.12490639  1.0
  Cu  Cu9  1  0.74952297  0.75000000  0.37509261  1.0
  Ir  Ir10  1  0.75014590  0.25000000  0.12735672  1.0
  Ir  Ir11  1  0.25014490  0.75000000  0.37264328  1.0
  Ir  Ir12  1  0.75008052  0.25000000  0.62291361  1.0
  Ir  Ir13  1  0.25007952  0.75000000  0.87708539  1.0
  Ru  Ru14  1  0.25013139  0.25000000  0.62369751  1.0
  Ru  Ru15  1  0.75013039  0.75000000  0.87630149  1.0