# generated using pymatgen
data_Yb3BBr3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87614286
_cell_length_b   9.87614312
_cell_length_c   9.87614317
_cell_angle_alpha   105.10064991
_cell_angle_beta   105.10064903
_cell_angle_gamma   105.10064571
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3BBr3N2
_chemical_formula_sum   'Yb12 B4 Br12 N8'
_cell_volume   840.35743542
_cell_formula_units_Z   4
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
  Yb  Yb0  1  0.97251885  0.73994068  0.73230781  1.0
  Yb  Yb1  1  0.73994068  0.73230781  0.97251885  1.0
  Yb  Yb2  1  0.73230781  0.97251885  0.73994068  1.0
  Yb  Yb3  1  0.02748115  0.26769219  0.26005932  1.0
  Yb  Yb4  1  0.26005932  0.02748115  0.26769119  1.0
  Yb  Yb5  1  0.26769219  0.26005932  0.02748115  1.0
  Yb  Yb6  1  0.50000000  0.23216913  0.76783087  1.0
  Yb  Yb7  1  0.23216913  0.76783087  0.50000000  1.0
  Yb  Yb8  1  0.76783087  0.50000000  0.23216913  1.0
  Yb  Yb9  1  0.50000000  0.01120864  0.98879136  1.0
  Yb  Yb10  1  0.01120864  0.98879136  0.50000000  1.0
  Yb  Yb11  1  0.98879136  0.50000000  0.01120864  1.0
  B  B12  1  0.00000000  0.76500011  0.23499989  1.0
  B  B13  1  0.76500011  0.23499989  0.00000000  1.0
  B  B14  1  0.23499989  1.00000000  0.76500011  1.0
  B  B15  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br16  1  0.75001108  0.47610187  0.74637200  1.0
  Br  Br17  1  0.47610187  0.74637200  0.75001108  1.0
  Br  Br18  1  0.74637200  0.75001108  0.47610187  1.0
  Br  Br19  1  0.24998892  0.25362800  0.52389813  1.0
  Br  Br20  1  0.52389813  0.24998892  0.25362800  1.0
  Br  Br21  1  0.25362800  0.52389813  0.24998892  1.0
  Br  Br22  1  1.00000000  0.50546934  0.49453066  1.0
  Br  Br23  1  0.50546934  0.49453066  1.00000000  1.0
  Br  Br24  1  0.49453066  0.00000000  0.50546934  1.0
  Br  Br25  1  0.00000000  0.22564019  0.77435981  1.0
  Br  Br26  1  0.22564019  0.77435981  0.00000000  1.0
  Br  Br27  1  0.77435981  1.00000000  0.22564019  1.0
  N  N28  1  0.88522887  0.65234145  0.12672634  1.0
  N  N29  1  0.65234145  0.12672634  0.88522887  1.0
  N  N30  1  0.12672634  0.88522887  0.65234145  1.0
  N  N31  1  0.11477113  0.87327366  0.34765855  1.0
  N  N32  1  0.34765855  0.11477113  0.87327366  1.0
  N  N33  1  0.87327366  0.34765855  0.11477113  1.0
  N  N34  1  0.88681238  0.88681238  0.88681238  1.0
  N  N35  1  0.11318762  0.11318762  0.11318762  1.0