# generated using pymatgen
data_Nd6ErFeBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38767669
_cell_length_b   9.38767610
_cell_length_c   9.38767584
_cell_angle_alpha   106.92768595
_cell_angle_beta   106.92768799
_cell_angle_gamma   106.92768410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6ErFeBr12
_chemical_formula_sum   'Nd6 Er1 Fe1 Br12'
_cell_volume   690.35590079
_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  0.10391455  0.02426030  0.30928392  1.0
  Nd  Nd1  1  0.30928392  0.10391455  0.02426030  1.0
  Nd  Nd2  1  0.02426030  0.30928392  0.10391455  1.0
  Nd  Nd3  1  0.89608545  0.97573970  0.69071608  1.0
  Nd  Nd4  1  0.69071608  0.89608545  0.97573970  1.0
  Nd  Nd5  1  0.97573970  0.69071608  0.89608545  1.0
  Er  Er6  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.06963955  0.68021385  0.22295176  1.0
  Br  Br9  1  0.22295176  0.06963955  0.68021385  1.0
  Br  Br10  1  0.68021385  0.22295176  0.06963955  1.0
  Br  Br11  1  0.93036045  0.31978615  0.77704824  1.0
  Br  Br12  1  0.77704824  0.93036045  0.31978615  1.0
  Br  Br13  1  0.31978615  0.77704824  0.93036045  1.0
  Br  Br14  1  0.47130872  0.18001519  0.39178186  1.0
  Br  Br15  1  0.39178186  0.47130872  0.18001519  1.0
  Br  Br16  1  0.18001519  0.39178186  0.47130872  1.0
  Br  Br17  1  0.52869128  0.81998481  0.60821814  1.0
  Br  Br18  1  0.60821814  0.52869128  0.81998481  1.0
  Br  Br19  1  0.81998481  0.60821814  0.52869128  1.0