# generated using pymatgen
data_Sm3Cu3(Ni5B)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99708870
_cell_length_b   4.99708950
_cell_length_c   10.82613982
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000764
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Cu3(Ni5B)2
_chemical_formula_sum   'Sm3 Cu3 Ni10 B2'
_cell_volume   234.11994685
_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
  Sm  Sm0  1  0.00000000  0.00000000  0.99999994  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.66554890  1.0
  Sm  Sm2  1  0.00000000  0.00000000  0.32888947  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.68276913  1.0
  Cu  Cu4  1  0.33333300  0.66666700  0.68296978  1.0
  Cu  Cu5  1  0.33333300  0.66666700  0.31731475  1.0
  Ni  Ni6  1  0.50056128  0.49943872  0.49937541  1.0
  Ni  Ni7  1  0.50056128  0.00112156  0.49937541  1.0
  Ni  Ni8  1  0.99887844  0.49943872  0.49937541  1.0
  Ni  Ni9  1  0.66666700  0.33333300  0.31895469  1.0
  Ni  Ni10  1  0.49996015  0.50003985  0.86990555  1.0
  Ni  Ni11  1  0.49996015  0.99991929  0.86990555  1.0
  Ni  Ni12  1  0.00008071  0.50003985  0.86990555  1.0
  Ni  Ni13  1  0.50106589  0.49893411  0.13149401  1.0
  Ni  Ni14  1  0.50106589  0.00213278  0.13149401  1.0
  Ni  Ni15  1  0.99786722  0.49893411  0.13149401  1.0
  B  B16  1  0.66666700  0.33333300  0.00025913  1.0
  B  B17  1  0.33333300  0.66666700  0.00096631  1.0