# generated using pymatgen
data_Sm2NiRuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07533344
_cell_length_b   4.07533359
_cell_length_c   16.60045074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2NiRuBr
_chemical_formula_sum   'Sm4 Ni2 Ru2 Br2'
_cell_volume   238.76837037
_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
  Sm  Sm0  1  0.00000000  0.00000000  0.61020637  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.39057188  1.0
  Sm  Sm2  1  0.00000000  0.00000000  0.11020637  1.0
  Sm  Sm3  1  0.00000000  0.00000000  0.89057188  1.0
  Ni  Ni4  1  0.66666700  0.33333300  0.99812077  1.0
  Ni  Ni5  1  0.33333300  0.66666700  0.49812077  1.0
  Ru  Ru6  1  0.66666700  0.33333300  0.50199466  1.0
  Ru  Ru7  1  0.33333300  0.66666700  0.00199466  1.0
  Br  Br8  1  0.66666700  0.33333300  0.24910632  1.0
  Br  Br9  1  0.33333300  0.66666700  0.74910632  1.0