# generated using pymatgen
data_Nd4FeRu3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17028182
_cell_length_b   4.17028221
_cell_length_c   17.00691800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998131
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4FeRu3Br2
_chemical_formula_sum   'Nd4 Fe1 Ru3 Br2'
_cell_volume   256.14576606
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.11103189  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.88904777  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.61447790  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.38538877  1.0
  Fe  Fe4  1  0.33333300  0.66666700  0.99405489  1.0
  Ru  Ru5  1  0.33333300  0.66666700  0.51143221  1.0
  Ru  Ru6  1  0.66666700  0.33333300  0.48821599  1.0
  Ru  Ru7  1  0.66666700  0.33333300  0.00646240  1.0
  Br  Br8  1  0.33333300  0.66666700  0.24895792  1.0
  Br  Br9  1  0.66666700  0.33333300  0.75093026  1.0