# generated using pymatgen
data_Gd3CBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63820147
_cell_length_b   9.63820143
_cell_length_c   9.63820050
_cell_angle_alpha   109.42111330
_cell_angle_beta   109.42111720
_cell_angle_gamma   109.57148033
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3CBr3
_chemical_formula_sum   'Gd12 C4 Br12'
_cell_volume   689.23139856
_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
  Gd  Gd0  1  0.47707903  0.22707903  0.45416006  1.0
  Gd  Gd1  1  0.02292097  0.47707903  0.75000000  1.0
  Gd  Gd2  1  0.27292097  0.02292097  0.04583994  1.0
  Gd  Gd3  1  0.22707903  0.27292097  0.75000000  1.0
  Gd  Gd4  1  0.45501810  0.47694455  0.22855798  1.0
  Gd  Gd5  1  0.74838657  0.22645912  0.27144202  1.0
  Gd  Gd6  1  0.75161343  0.02305545  0.47807355  1.0
  Gd  Gd7  1  0.22645912  0.45501810  0.47807355  1.0
  Gd  Gd8  1  0.27354088  0.75161343  0.22855798  1.0
  Gd  Gd9  1  0.04498190  0.27354088  0.02192645  1.0
  Gd  Gd10  1  0.02305545  0.04498190  0.27144202  1.0
  Gd  Gd11  1  0.47694455  0.74838657  0.02192645  1.0
  C  C12  1  0.24919641  0.25080359  0.25000000  1.0
  C  C13  1  0.50080359  0.99919641  0.25000000  1.0
  C  C14  1  0.99919641  0.24919641  0.49839281  1.0
  C  C15  1  0.25080359  0.50080359  0.00160719  1.0
  Br  Br16  1  0.25033564  0.76049712  0.74116629  1.0
  Br  Br17  1  0.51933183  0.50917035  0.75883371  1.0
  Br  Br18  1  0.98066817  0.73950288  0.98983852  1.0
  Br  Br19  1  0.73950288  0.24966436  0.75883371  1.0
  Br  Br20  1  0.99082965  0.98066817  0.74116629  1.0
  Br  Br21  1  0.24966436  0.99082965  0.51016148  1.0
  Br  Br22  1  0.76049712  0.51933183  0.51016148  1.0
  Br  Br23  1  0.50917035  0.25033564  0.98983852  1.0
  Br  Br24  1  0.75983621  0.74016379  0.25000000  1.0
  Br  Br25  1  0.74016379  0.99016379  0.98032957  1.0
  Br  Br26  1  0.99016379  0.50983621  0.25000000  1.0
  Br  Br27  1  0.50983621  0.75983621  0.51967043  1.0